2-[4-[(4-aminocyclohexyl)amino]-2-oxo-1H-pyridin-3-yl]-N-methyl-1H-imidazole-5-carboxamide

C16H22N6O2 — CID 137175070

IUPAC2-[4-[(4-aminocyclohexyl)amino]-2-oxo-1H-pyridin-3-yl]-N-methyl-1H-imidazole-5-carboxamide
SMILESCNC(=O)c1cnc(-c2c(NC3CCC(N)CC3)cc[nH]c2=O)[nH]1
InChIInChI=1S/C16H22N6O2/c1-18-15(23)12-8-20-14(22-12)13-11(6-7-19-16(13)24)21-10-4-2-9(17)3-5-10/h6-10H,2-5,17H2,1H3,(H,18,23)(H,20,22)(H2,19,21,24)
InChIKeyCDLHRIRHGHGXDJ-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.81
Rot. Bonds4

About 2-[4-[(4-aminocyclohexyl)amino]-2-oxo-1H-pyridin-3-yl]-N-methyl-1H-imidazole-5-carboxamide

2-[4-[(4-aminocyclohexyl)amino]-2-oxo-1H-pyridin-3-yl]-N-methyl-1H-imidazole-5-carboxamide (PubChem CID 137175070) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[4-[(4-aminocyclohexyl)amino]-2-oxo-1H-pyridin-3-yl]-N-methyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[(4-aminocyclohexyl)amino]-2-oxo-1H-pyridin-3-yl]-N-methyl-1H-imidazole-5-carboxamide
PubChem CID137175070
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name2-[4-[(4-aminocyclohexyl)amino]-2-oxo-1H-pyridin-3-yl]-N-methyl-1H-imidazole-5-carboxamide
SMILESCNC(=O)c1cnc(-c2c(NC3CCC(N)CC3)cc[nH]c2=O)[nH]1
InChIInChI=1S/C16H22N6O2/c1-18-15(23)12-8-20-14(22-12)13-11(6-7-19-16(13)24)21-10-4-2-9(17)3-5-10/h6-10H,2-5,17H2,1H3,(H,18,23)(H,20,22)(H2,19,21,24)
InChIKeyCDLHRIRHGHGXDJ-UHFFFAOYSA-N
XLogP0.81
TPSA128.69 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-aminocyclohexyl)amino]-2-oxo-1H-pyridin-3-yl]-N-methyl-1H-imidazole-5-carboxamide?
The IUPAC name of 2-[4-[(4-aminocyclohexyl)amino]-2-oxo-1H-pyridin-3-yl]-N-methyl-1H-imidazole-5-carboxamide (CID 137175070) is 2-[4-[(4-aminocyclohexyl)amino]-2-oxo-1H-pyridin-3-yl]-N-methyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[(4-aminocyclohexyl)amino]-2-oxo-1H-pyridin-3-yl]-N-methyl-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-[4-[(4-aminocyclohexyl)amino]-2-oxo-1H-pyridin-3-yl]-N-methyl-1H-imidazole-5-carboxamide is CNC(=O)c1cnc(-c2c(NC3CCC(N)CC3)cc[nH]c2=O)[nH]1.
What is the InChIKey of 2-[4-[(4-aminocyclohexyl)amino]-2-oxo-1H-pyridin-3-yl]-N-methyl-1H-imidazole-5-carboxamide?
The InChIKey is CDLHRIRHGHGXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-18-15(23)12-8-20-14(22-12)13-11(6-7-19-16(13)24)21-10-4-2-9(17)3-5-10/h6-10H,2-5,17H2,1H3,(H,18,23)(H,20,22)(H2,19,21,24).
What are the key properties of 2-[4-[(4-aminocyclohexyl)amino]-2-oxo-1H-pyridin-3-yl]-N-methyl-1H-imidazole-5-carboxamide?
2-[4-[(4-aminocyclohexyl)amino]-2-oxo-1H-pyridin-3-yl]-N-methyl-1H-imidazole-5-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.81, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-aminocyclohexyl)amino]-2-oxo-1H-pyridin-3-yl]-N-methyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 137175070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).