1-[4-(5-amino-2-methyl-3-pyridinyl)-6-chloro-2-pyridinyl]piperidin-4-ol;1-[4-(5-amino-2-methyl-3-pyridinyl)-6-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]piperidin-4-ol;1-[4-(5-amino-2-methyl-3-pyridinyl)-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-ol;5-(2,6-dichloro-4-pyridinyl)-6-methylpyridin-3-amine

C69H82Cl3N15O5 — CID 161441730

IUPAC1-[4-(5-amino-2-methyl-3-pyridinyl)-6-chloro-2-pyridinyl]piperidin-4-ol;1-[4-(5-amino-2-methyl-3-pyridinyl)-6-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]piperidin-4-ol;1-[4-(5-amino-2-methyl-3-pyridinyl)-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-ol;5-(2,6-dichloro-4-pyridinyl)-6-methylpyridin-3-amine
SMILESCc1ncc(N)cc1-c1cc(C2=CCOCC2)nc(N2CCC(O)CC2)c1.Cc1ncc(N)cc1-c1cc(C2CCOCC2)nc(N2CCC(O)CC2)c1.Cc1ncc(N)cc1-c1cc(Cl)nc(Cl)c1.Cc1ncc(N)cc1-c1cc(Cl)nc(N2CCC(O)CC2)c1
InChIInChI=1S/C21H28N4O2.C21H26N4O2.C16H19ClN4O.C11H9Cl2N3/c2*1-14-19(12-17(22)13-23-14)16-10-20(15-4-8-27-9-5-15)24-21(11-16)25-6-2-18(26)3-7-25;1-10-14(8-12(18)9-19-10)11-6-15(17)20-16(7-11)21-4-2-13(22)3-5-21;1-6-9(4-8(14)5-15-6)7-2-10(12)16-11(13)3-7/h10-13,15,18,26H,2-9,22H2,1H3;4,10-13,18,26H,2-3,5-9,22H2,1H3;6-9,13,22H,2-5,18H2,1H3;2-5H,14H2,1H3
InChIKeyVZJBIMQIUJBFNA-UHFFFAOYSA-N
MW1307.87 g/mol
LogP11.68
Rot. Bonds9

About 1-[4-(5-amino-2-methyl-3-pyridinyl)-6-chloro-2-pyridinyl]piperidin-4-ol;1-[4-(5-amino-2-methyl-3-pyridinyl)-6-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]piperidin-4-ol;1-[4-(5-amino-2-methyl-3-pyridinyl)-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-ol;5-(2,6-dichloro-4-pyridinyl)-6-methylpyridin-3-amine

1-[4-(5-amino-2-methyl-3-pyridinyl)-6-chloro-2-pyridinyl]piperidin-4-ol;1-[4-(5-amino-2-methyl-3-pyridinyl)-6-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]piperidin-4-ol;1-[4-(5-amino-2-methyl-3-pyridinyl)-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-ol;5-(2,6-dichloro-4-pyridinyl)-6-methylpyridin-3-amine (PubChem CID 161441730) has the molecular formula C69H82Cl3N15O5 and a molecular weight of 1307.87 g/mol. Its IUPAC name is 1-[4-(5-amino-2-methyl-3-pyridinyl)-6-chloro-2-pyridinyl]piperidin-4-ol;1-[4-(5-amino-2-methyl-3-pyridinyl)-6-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]piperidin-4-ol;1-[4-(5-amino-2-methyl-3-pyridinyl)-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-ol;5-(2,6-dichloro-4-pyridinyl)-6-methylpyridin-3-amine.

Molecular Properties

Compound Name1-[4-(5-amino-2-methyl-3-pyridinyl)-6-chloro-2-pyridinyl]piperidin-4-ol;1-[4-(5-amino-2-methyl-3-pyridinyl)-6-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]piperidin-4-ol;1-[4-(5-amino-2-methyl-3-pyridinyl)-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-ol;5-(2,6-dichloro-4-pyridinyl)-6-methylpyridin-3-amine
PubChem CID161441730
Molecular FormulaC69H82Cl3N15O5
Molecular Weight1307.87 g/mol
Exact Mass1305.57
IUPAC Name1-[4-(5-amino-2-methyl-3-pyridinyl)-6-chloro-2-pyridinyl]piperidin-4-ol;1-[4-(5-amino-2-methyl-3-pyridinyl)-6-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]piperidin-4-ol;1-[4-(5-amino-2-methyl-3-pyridinyl)-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-ol;5-(2,6-dichloro-4-pyridinyl)-6-methylpyridin-3-amine
SMILESCc1ncc(N)cc1-c1cc(C2=CCOCC2)nc(N2CCC(O)CC2)c1.Cc1ncc(N)cc1-c1cc(C2CCOCC2)nc(N2CCC(O)CC2)c1.Cc1ncc(N)cc1-c1cc(Cl)nc(Cl)c1.Cc1ncc(N)cc1-c1cc(Cl)nc(N2CCC(O)CC2)c1
InChIInChI=1S/C21H28N4O2.C21H26N4O2.C16H19ClN4O.C11H9Cl2N3/c2*1-14-19(12-17(22)13-23-14)16-10-20(15-4-8-27-9-5-15)24-21(11-16)25-6-2-18(26)3-7-25;1-10-14(8-12(18)9-19-10)11-6-15(17)20-16(7-11)21-4-2-13(22)3-5-21;1-6-9(4-8(14)5-15-6)7-2-10(12)16-11(13)3-7/h10-13,15,18,26H,2-9,22H2,1H3;4,10-13,18,26H,2-3,5-9,22H2,1H3;6-9,13,22H,2-5,18H2,1H3;2-5H,14H2,1H3
InChIKeyVZJBIMQIUJBFNA-UHFFFAOYSA-N
XLogP11.68
TPSA296.07 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds9
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001307.87
LogP ≤ 511.68
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[4-(5-amino-2-methyl-3-pyridinyl)-6-chloro-2-pyridinyl]piperidin-4-ol;1-[4-(5-amino-2-methyl-3-pyridinyl)-6-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]piperidin-4-ol;1-[4-(5-amino-2-methyl-3-pyridinyl)-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-ol;5-(2,6-dichloro-4-pyridinyl)-6-methylpyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-amino-2-methyl-3-pyridinyl)-6-chloro-2-pyridinyl]piperidin-4-ol;1-[4-(5-amino-2-methyl-3-pyridinyl)-6-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]piperidin-4-ol;1-[4-(5-amino-2-methyl-3-pyridinyl)-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-ol;5-(2,6-dichloro-4-pyridinyl)-6-methylpyridin-3-amine?
The IUPAC name of 1-[4-(5-amino-2-methyl-3-pyridinyl)-6-chloro-2-pyridinyl]piperidin-4-ol;1-[4-(5-amino-2-methyl-3-pyridinyl)-6-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]piperidin-4-ol;1-[4-(5-amino-2-methyl-3-pyridinyl)-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-ol;5-(2,6-dichloro-4-pyridinyl)-6-methylpyridin-3-amine (CID 161441730) is 1-[4-(5-amino-2-methyl-3-pyridinyl)-6-chloro-2-pyridinyl]piperidin-4-ol;1-[4-(5-amino-2-methyl-3-pyridinyl)-6-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]piperidin-4-ol;1-[4-(5-amino-2-methyl-3-pyridinyl)-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-ol;5-(2,6-dichloro-4-pyridinyl)-6-methylpyridin-3-amine.
What is the SMILES notation for 1-[4-(5-amino-2-methyl-3-pyridinyl)-6-chloro-2-pyridinyl]piperidin-4-ol;1-[4-(5-amino-2-methyl-3-pyridinyl)-6-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]piperidin-4-ol;1-[4-(5-amino-2-methyl-3-pyridinyl)-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-ol;5-(2,6-dichloro-4-pyridinyl)-6-methylpyridin-3-amine?
The canonical SMILES for 1-[4-(5-amino-2-methyl-3-pyridinyl)-6-chloro-2-pyridinyl]piperidin-4-ol;1-[4-(5-amino-2-methyl-3-pyridinyl)-6-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]piperidin-4-ol;1-[4-(5-amino-2-methyl-3-pyridinyl)-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-ol;5-(2,6-dichloro-4-pyridinyl)-6-methylpyridin-3-amine is Cc1ncc(N)cc1-c1cc(C2=CCOCC2)nc(N2CCC(O)CC2)c1.Cc1ncc(N)cc1-c1cc(C2CCOCC2)nc(N2CCC(O)CC2)c1.Cc1ncc(N)cc1-c1cc(Cl)nc(Cl)c1.Cc1ncc(N)cc1-c1cc(Cl)nc(N2CCC(O)CC2)c1.
What is the InChIKey of 1-[4-(5-amino-2-methyl-3-pyridinyl)-6-chloro-2-pyridinyl]piperidin-4-ol;1-[4-(5-amino-2-methyl-3-pyridinyl)-6-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]piperidin-4-ol;1-[4-(5-amino-2-methyl-3-pyridinyl)-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-ol;5-(2,6-dichloro-4-pyridinyl)-6-methylpyridin-3-amine?
The InChIKey is VZJBIMQIUJBFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2.C21H26N4O2.C16H19ClN4O.C11H9Cl2N3/c2*1-14-19(12-17(22)13-23-14)16-10-20(15-4-8-27-9-5-15)24-21(11-16)25-6-2-18(26)3-7-25;1-10-14(8-12(18)9-19-10)11-6-15(17)20-16(7-11)21-4-2-13(22)3-5-21;1-6-9(4-8(14)5-15-6)7-2-10(12)16-11(13)3-7/h10-13,15,18,26H,2-9,22H2,1H3;4,10-13,18,26H,2-3,5-9,22H2,1H3;6-9,13,22H,2-5,18H2,1H3;2-5H,14H2,1H3.
What are the key properties of 1-[4-(5-amino-2-methyl-3-pyridinyl)-6-chloro-2-pyridinyl]piperidin-4-ol;1-[4-(5-amino-2-methyl-3-pyridinyl)-6-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]piperidin-4-ol;1-[4-(5-amino-2-methyl-3-pyridinyl)-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-ol;5-(2,6-dichloro-4-pyridinyl)-6-methylpyridin-3-amine?
1-[4-(5-amino-2-methyl-3-pyridinyl)-6-chloro-2-pyridinyl]piperidin-4-ol;1-[4-(5-amino-2-methyl-3-pyridinyl)-6-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]piperidin-4-ol;1-[4-(5-amino-2-methyl-3-pyridinyl)-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-ol;5-(2,6-dichloro-4-pyridinyl)-6-methylpyridin-3-amine has a molecular weight of 1307.87 g/mol, XLogP of 11.68, 9 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-amino-2-methyl-3-pyridinyl)-6-chloro-2-pyridinyl]piperidin-4-ol;1-[4-(5-amino-2-methyl-3-pyridinyl)-6-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]piperidin-4-ol;1-[4-(5-amino-2-methyl-3-pyridinyl)-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-ol;5-(2,6-dichloro-4-pyridinyl)-6-methylpyridin-3-amine is sourced from PubChem (CID 161441730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).