2-chloro-N,6-dimethylpyridin-4-amine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;2-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-4-N,6-dimethylpyridine-2,4-diamine

C40H59ClN10O4 — CID 160644671

IUPAC2-chloro-N,6-dimethylpyridin-4-amine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;2-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-4-N,6-dimethylpyridine-2,4-diamine
SMILESCNc1cc(C)nc(Cl)c1.CNc1cc(C)nc(Nc2cc(OCCCN3CCCC3)c(OC)cn2)c1.COc1cnc(N)cc1OCCCN1CCCC1
InChIInChI=1S/C20H29N5O2.C13H21N3O2.C7H9ClN2/c1-15-11-16(21-2)12-20(23-15)24-19-13-17(18(26-3)14-22-19)27-10-6-9-25-7-4-5-8-25;1-17-12-10-15-13(14)9-11(12)18-8-4-7-16-5-2-3-6-16;1-5-3-6(9-2)4-7(8)10-5/h11-14H,4-10H2,1-3H3,(H2,21,22,23,24);9-10H,2-8H2,1H3,(H2,14,15);3-4H,1-2H3,(H,9,10)
InChIKeyRJQAGOJBBCHNGE-UHFFFAOYSA-N
MW779.43 g/mol
LogP7.07
Rot. Bonds16

About 2-chloro-N,6-dimethylpyridin-4-amine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;2-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-4-N,6-dimethylpyridine-2,4-diamine

2-chloro-N,6-dimethylpyridin-4-amine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;2-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-4-N,6-dimethylpyridine-2,4-diamine (PubChem CID 160644671) has the molecular formula C40H59ClN10O4 and a molecular weight of 779.43 g/mol. Its IUPAC name is 2-chloro-N,6-dimethylpyridin-4-amine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;2-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-4-N,6-dimethylpyridine-2,4-diamine.

Molecular Properties

Compound Name2-chloro-N,6-dimethylpyridin-4-amine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;2-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-4-N,6-dimethylpyridine-2,4-diamine
PubChem CID160644671
Molecular FormulaC40H59ClN10O4
Molecular Weight779.43 g/mol
Exact Mass778.44
IUPAC Name2-chloro-N,6-dimethylpyridin-4-amine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;2-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-4-N,6-dimethylpyridine-2,4-diamine
SMILESCNc1cc(C)nc(Cl)c1.CNc1cc(C)nc(Nc2cc(OCCCN3CCCC3)c(OC)cn2)c1.COc1cnc(N)cc1OCCCN1CCCC1
InChIInChI=1S/C20H29N5O2.C13H21N3O2.C7H9ClN2/c1-15-11-16(21-2)12-20(23-15)24-19-13-17(18(26-3)14-22-19)27-10-6-9-25-7-4-5-8-25;1-17-12-10-15-13(14)9-11(12)18-8-4-7-16-5-2-3-6-16;1-5-3-6(9-2)4-7(8)10-5/h11-14H,4-10H2,1-3H3,(H2,21,22,23,24);9-10H,2-8H2,1H3,(H2,14,15);3-4H,1-2H3,(H,9,10)
InChIKeyRJQAGOJBBCHNGE-UHFFFAOYSA-N
XLogP7.07
TPSA157.07 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500779.43
LogP ≤ 57.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-chloro-N,6-dimethylpyridin-4-amine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;2-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-4-N,6-dimethylpyridine-2,4-diamine with MolForge

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Related Compounds

N-methyl-1-[6-methyl-3-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methanamine
CID 79150803
2-amino-5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)benzoic acid
CID 130345860
N-[[6-methyl-3-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]ethanamine
CID 79151286
9-chloro-2-methoxy-7-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridine
CID 130345739
4-N,6-dimethyl-2-N-[4-(3-pyrrolidin-1-ylpropoxy)-3H-indazol-6-yl]pyrimidine-2,4-diamine
CID 160565595
2-methoxy-N-methyl-3-(3-piperidin-1-ylpropoxy)acridin-9-amine
CID 130345795
6-methoxy-4-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine
CID 177382773
6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
CID 22649262
1-fluoro-8-methoxy-3-methyl-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole
CID 166723373
2-methoxy-N-methyl-3-(3-pyrrolidin-1-ylpropoxy)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 155284199
8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrimido[5,4-b]indole
CID 137356427
2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-(2H-triazol-4-yl)quinazolin-4-amine
CID 165146472

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,6-dimethylpyridin-4-amine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;2-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-4-N,6-dimethylpyridine-2,4-diamine?
The IUPAC name of 2-chloro-N,6-dimethylpyridin-4-amine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;2-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-4-N,6-dimethylpyridine-2,4-diamine (CID 160644671) is 2-chloro-N,6-dimethylpyridin-4-amine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;2-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-4-N,6-dimethylpyridine-2,4-diamine.
What is the SMILES notation for 2-chloro-N,6-dimethylpyridin-4-amine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;2-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-4-N,6-dimethylpyridine-2,4-diamine?
The canonical SMILES for 2-chloro-N,6-dimethylpyridin-4-amine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;2-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-4-N,6-dimethylpyridine-2,4-diamine is CNc1cc(C)nc(Cl)c1.CNc1cc(C)nc(Nc2cc(OCCCN3CCCC3)c(OC)cn2)c1.COc1cnc(N)cc1OCCCN1CCCC1.
What is the InChIKey of 2-chloro-N,6-dimethylpyridin-4-amine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;2-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-4-N,6-dimethylpyridine-2,4-diamine?
The InChIKey is RJQAGOJBBCHNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2.C13H21N3O2.C7H9ClN2/c1-15-11-16(21-2)12-20(23-15)24-19-13-17(18(26-3)14-22-19)27-10-6-9-25-7-4-5-8-25;1-17-12-10-15-13(14)9-11(12)18-8-4-7-16-5-2-3-6-16;1-5-3-6(9-2)4-7(8)10-5/h11-14H,4-10H2,1-3H3,(H2,21,22,23,24);9-10H,2-8H2,1H3,(H2,14,15);3-4H,1-2H3,(H,9,10).
What are the key properties of 2-chloro-N,6-dimethylpyridin-4-amine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;2-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-4-N,6-dimethylpyridine-2,4-diamine?
2-chloro-N,6-dimethylpyridin-4-amine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;2-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-4-N,6-dimethylpyridine-2,4-diamine has a molecular weight of 779.43 g/mol, XLogP of 7.07, 16 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,6-dimethylpyridin-4-amine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;2-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-4-N,6-dimethylpyridine-2,4-diamine is sourced from PubChem (CID 160644671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).