N-(2-amino-1-cyclohexylethyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide

C18H28N4O — CID 119589638

IUPACN-(2-amino-1-cyclohexylethyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESNCC(NC(=O)c1ccc(N2CCCC2)nc1)C1CCCCC1
InChIInChI=1S/C18H28N4O/c19-12-16(14-6-2-1-3-7-14)21-18(23)15-8-9-17(20-13-15)22-10-4-5-11-22/h8-9,13-14,16H,1-7,10-12,19H2,(H,21,23)
InChIKeyIBCUPSRZSHKUGL-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.32
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide

N-(2-amino-1-cyclohexylethyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 119589638) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID119589638
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC NameN-(2-amino-1-cyclohexylethyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESNCC(NC(=O)c1ccc(N2CCCC2)nc1)C1CCCCC1
InChIInChI=1S/C18H28N4O/c19-12-16(14-6-2-1-3-7-14)21-18(23)15-8-9-17(20-13-15)22-10-4-5-11-22/h8-9,13-14,16H,1-7,10-12,19H2,(H,21,23)
InChIKeyIBCUPSRZSHKUGL-UHFFFAOYSA-N
XLogP2.32
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-methylpropyl)-6-(azepan-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 119996255
N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119382780
N-(2-amino-1-cyclopentylethyl)pyridine-3-carboxamide
CID 106737538
N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[6-(azepan-1-yl)-3-pyridinyl]benzamide
CID 87199955
N-(2-amino-1-cyclohexylethyl)-1-methylpyrazole-4-carboxamide
CID 81425114
N-(2-amino-1-cyclohexylethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide
CID 119592111
cis-(1S,3R)-3-[[6-(azepan-1-yl)pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675336
N-(2-amino-1-cyclohexylethyl)imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride
CID 119590118
6-(cyclopropylamino)-N-(6-piperidin-1-yl-3-pyridinyl)pyridine-3-carboxamide
CID 56799221
N-piperidin-4-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119386740
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
N-(2-amino-1-cyclohexylethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119589185

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide (CID 119589638) is N-(2-amino-1-cyclohexylethyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide is NCC(NC(=O)c1ccc(N2CCCC2)nc1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is IBCUPSRZSHKUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c19-12-16(14-6-2-1-3-7-14)21-18(23)15-8-9-17(20-13-15)22-10-4-5-11-22/h8-9,13-14,16H,1-7,10-12,19H2,(H,21,23).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
N-(2-amino-1-cyclohexylethyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 119589638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).