2-[(2-cyclohexyl-2-pyridin-3-ylacetyl)amino]-N,N-dimethylpyridine-4-carboxamide

C21H26N4O2 — CID 154787654

IUPAC2-[(2-cyclohexyl-2-pyridin-3-ylacetyl)amino]-N,N-dimethylpyridine-4-carboxamide
SMILESCN(C)C(=O)c1ccnc(NC(=O)C(c2cccnc2)C2CCCCC2)c1
InChIInChI=1S/C21H26N4O2/c1-25(2)21(27)16-10-12-23-18(13-16)24-20(26)19(15-7-4-3-5-8-15)17-9-6-11-22-14-17/h6,9-15,19H,3-5,7-8H2,1-2H3,(H,23,24,26)
InChIKeyGQQNBMYVGSTGFY-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.48
Rot. Bonds5

About 2-[(2-cyclohexyl-2-pyridin-3-ylacetyl)amino]-N,N-dimethylpyridine-4-carboxamide

2-[(2-cyclohexyl-2-pyridin-3-ylacetyl)amino]-N,N-dimethylpyridine-4-carboxamide (PubChem CID 154787654) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-[(2-cyclohexyl-2-pyridin-3-ylacetyl)amino]-N,N-dimethylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(2-cyclohexyl-2-pyridin-3-ylacetyl)amino]-N,N-dimethylpyridine-4-carboxamide
PubChem CID154787654
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-[(2-cyclohexyl-2-pyridin-3-ylacetyl)amino]-N,N-dimethylpyridine-4-carboxamide
SMILESCN(C)C(=O)c1ccnc(NC(=O)C(c2cccnc2)C2CCCCC2)c1
InChIInChI=1S/C21H26N4O2/c1-25(2)21(27)16-10-12-23-18(13-16)24-20(26)19(15-7-4-3-5-8-15)17-9-6-11-22-14-17/h6,9-15,19H,3-5,7-8H2,1-2H3,(H,23,24,26)
InChIKeyGQQNBMYVGSTGFY-UHFFFAOYSA-N
XLogP3.48
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclohexyl-2-pyridin-3-ylacetyl)amino]-N,N-dimethylpyridine-4-carboxamide?
The IUPAC name of 2-[(2-cyclohexyl-2-pyridin-3-ylacetyl)amino]-N,N-dimethylpyridine-4-carboxamide (CID 154787654) is 2-[(2-cyclohexyl-2-pyridin-3-ylacetyl)amino]-N,N-dimethylpyridine-4-carboxamide.
What is the SMILES notation for 2-[(2-cyclohexyl-2-pyridin-3-ylacetyl)amino]-N,N-dimethylpyridine-4-carboxamide?
The canonical SMILES for 2-[(2-cyclohexyl-2-pyridin-3-ylacetyl)amino]-N,N-dimethylpyridine-4-carboxamide is CN(C)C(=O)c1ccnc(NC(=O)C(c2cccnc2)C2CCCCC2)c1.
What is the InChIKey of 2-[(2-cyclohexyl-2-pyridin-3-ylacetyl)amino]-N,N-dimethylpyridine-4-carboxamide?
The InChIKey is GQQNBMYVGSTGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-25(2)21(27)16-10-12-23-18(13-16)24-20(26)19(15-7-4-3-5-8-15)17-9-6-11-22-14-17/h6,9-15,19H,3-5,7-8H2,1-2H3,(H,23,24,26).
What are the key properties of 2-[(2-cyclohexyl-2-pyridin-3-ylacetyl)amino]-N,N-dimethylpyridine-4-carboxamide?
2-[(2-cyclohexyl-2-pyridin-3-ylacetyl)amino]-N,N-dimethylpyridine-4-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclohexyl-2-pyridin-3-ylacetyl)amino]-N,N-dimethylpyridine-4-carboxamide is sourced from PubChem (CID 154787654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).