N-(cyclohexylmethyl)-4-(propylamino)pyridine-2-carboxamide

C16H25N3O — CID 62169677

IUPACN-(cyclohexylmethyl)-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)NCC2CCCCC2)c1
InChIInChI=1S/C16H25N3O/c1-2-9-17-14-8-10-18-15(11-14)16(20)19-12-13-6-4-3-5-7-13/h8,10-11,13H,2-7,9,12H2,1H3,(H,17,18)(H,19,20)
InChIKeyDLYKLVZGPVNSLW-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.21
Rot. Bonds6

About N-(cyclohexylmethyl)-4-(propylamino)pyridine-2-carboxamide

N-(cyclohexylmethyl)-4-(propylamino)pyridine-2-carboxamide (PubChem CID 62169677) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-(propylamino)pyridine-2-carboxamide
PubChem CID62169677
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(cyclohexylmethyl)-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)NCC2CCCCC2)c1
InChIInChI=1S/C16H25N3O/c1-2-9-17-14-8-10-18-15(11-14)16(20)19-12-13-6-4-3-5-7-13/h8,10-11,13H,2-7,9,12H2,1H3,(H,17,18)(H,19,20)
InChIKeyDLYKLVZGPVNSLW-UHFFFAOYSA-N
XLogP3.21
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclobutylmethyl)-4-(ethylamino)pyridine-2-carboxamide
CID 62167949
N-(cyclohexylmethyl)-4-(methylamino)pyridine-2-carboxamide
CID 62169507
N-[(1,1-dioxothiolan-2-yl)methyl]-4-(propylamino)pyridine-2-carboxamide
CID 81041211
N-(4-ethylcyclohexyl)-4-(propylamino)pyridine-2-carboxamide
CID 63498977
N-(cyclohexylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105384839
N-(1,4-dioxan-2-ylmethyl)-4-(propylamino)pyridine-2-carboxamide
CID 62180963
N-cyclohexyl-4-(ethylamino)pyridine-2-carboxamide
CID 62171612
4-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62172967
4-(cyclopentylmethylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43517479
4-(3-cyclopentylpropylamino)-N-methylpyridine-2-carboxamide
CID 106012735
N-(oxan-4-yl)-4-(propylamino)pyridine-2-carboxamide
CID 55046881
N-(cyclopropylmethyl)-N-ethyl-4-(propylamino)pyridine-2-carboxamide
CID 63939735

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-4-(propylamino)pyridine-2-carboxamide (CID 62169677) is N-(cyclohexylmethyl)-4-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-4-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-4-(propylamino)pyridine-2-carboxamide is CCCNc1ccnc(C(=O)NCC2CCCCC2)c1.
What is the InChIKey of N-(cyclohexylmethyl)-4-(propylamino)pyridine-2-carboxamide?
The InChIKey is DLYKLVZGPVNSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-9-17-14-8-10-18-15(11-14)16(20)19-12-13-6-4-3-5-7-13/h8,10-11,13H,2-7,9,12H2,1H3,(H,17,18)(H,19,20).
What are the key properties of N-(cyclohexylmethyl)-4-(propylamino)pyridine-2-carboxamide?
N-(cyclohexylmethyl)-4-(propylamino)pyridine-2-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62169677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).