N-(2-amino-1-cyclohexylethyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide;hydrochloride

C19H29ClN4O2 — CID 119260908

IUPACN-(2-amino-1-cyclohexylethyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide;hydrochloride
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC(CN)C1CCCCC1.Cl
InChIInChI=1S/C19H28N4O2.ClH/c1-12-15(13(2)22-19(25)16(12)10-20)8-9-18(24)23-17(11-21)14-6-4-3-5-7-14;/h14,17H,3-9,11,21H2,1-2H3,(H,22,25)(H,23,24);1H
InChIKeyBAIHJTFOVCWKQU-UHFFFAOYSA-N
MW380.92 g/mol
LogP2.24
Rot. Bonds6

About N-(2-amino-1-cyclohexylethyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide;hydrochloride (PubChem CID 119260908) has the molecular formula C19H29ClN4O2 and a molecular weight of 380.92 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide;hydrochloride
PubChem CID119260908
Molecular FormulaC19H29ClN4O2
Molecular Weight380.92 g/mol
Exact Mass380.20
IUPAC NameN-(2-amino-1-cyclohexylethyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide;hydrochloride
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC(CN)C1CCCCC1.Cl
InChIInChI=1S/C19H28N4O2.ClH/c1-12-15(13(2)22-19(25)16(12)10-20)8-9-18(24)23-17(11-21)14-6-4-3-5-7-14;/h14,17H,3-9,11,21H2,1-2H3,(H,22,25)(H,23,24);1H
InChIKeyBAIHJTFOVCWKQU-UHFFFAOYSA-N
XLogP2.24
TPSA111.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide;hydrochloride (CID 119260908) is N-(2-amino-1-cyclohexylethyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide;hydrochloride is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC(CN)C1CCCCC1.Cl.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide;hydrochloride?
The InChIKey is BAIHJTFOVCWKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2.ClH/c1-12-15(13(2)22-19(25)16(12)10-20)8-9-18(24)23-17(11-21)14-6-4-3-5-7-14;/h14,17H,3-9,11,21H2,1-2H3,(H,22,25)(H,23,24);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide;hydrochloride has a molecular weight of 380.92 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 119260908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).