methyl N-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]carbamate

C19H24N4O2 — CID 113035718

IUPACmethyl N-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2ccc(N3CCC(C)CC3)cc2)cn1
InChIInChI=1S/C19H24N4O2/c1-14-9-11-23(12-10-14)17-6-3-15(4-7-17)21-16-5-8-18(20-13-16)22-19(24)25-2/h3-8,13-14,21H,9-12H2,1-2H3,(H,20,22,24)
InChIKeySTZBJINKEWNXPQ-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.24
Rot. Bonds4

About methyl N-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]carbamate

methyl N-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]carbamate (PubChem CID 113035718) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is methyl N-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]carbamate
PubChem CID113035718
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Namemethyl N-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2ccc(N3CCC(C)CC3)cc2)cn1
InChIInChI=1S/C19H24N4O2/c1-14-9-11-23(12-10-14)17-6-3-15(4-7-17)21-16-5-8-18(20-13-16)22-19(24)25-2/h3-8,13-14,21H,9-12H2,1-2H3,(H,20,22,24)
InChIKeySTZBJINKEWNXPQ-UHFFFAOYSA-N
XLogP4.24
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]carbamate
CID 113021092
N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]methanesulfonamide
CID 113021097
N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]thiophene-2-carboxamide
CID 113021087
(3-methylpiperidin-1-yl)-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109196383
2-amino-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide
CID 39180437
[1-(4-methylphenyl)piperidin-4-yl] N-(5-methyl-2-pyridinyl)carbamate
CID 161060422
N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide
CID 113024875
methyl N-[5-(cyclopentylamino)-2-pyridinyl]carbamate
CID 113024495
methyl N-[4-(4-piperidin-1-ylanilino)phenyl]carbamate
CID 112988794
4-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid
CID 39187652
N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113035628
N-[6-[4-(4-methylpiperidin-1-yl)anilino]pyridazin-3-yl]benzamide
CID 113049793

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]carbamate (CID 113035718) is methyl N-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]carbamate is COC(=O)Nc1ccc(Nc2ccc(N3CCC(C)CC3)cc2)cn1.
What is the InChIKey of methyl N-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]carbamate?
The InChIKey is STZBJINKEWNXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-9-11-23(12-10-14)17-6-3-15(4-7-17)21-16-5-8-18(20-13-16)22-19(24)25-2/h3-8,13-14,21H,9-12H2,1-2H3,(H,20,22,24).
What are the key properties of methyl N-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]carbamate?
methyl N-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]carbamate has a molecular weight of 340.43 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]carbamate is sourced from PubChem (CID 113035718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).