2-[(5-cyano-2-pyridinyl)amino]-N-(cyclohexylmethyl)-2-phenylacetamide

C21H24N4O — CID 68965090

IUPAC2-[(5-cyano-2-pyridinyl)amino]-N-(cyclohexylmethyl)-2-phenylacetamide
SMILESN#Cc1ccc(NC(C(=O)NCC2CCCCC2)c2ccccc2)nc1
InChIInChI=1S/C21H24N4O/c22-13-17-11-12-19(23-15-17)25-20(18-9-5-2-6-10-18)21(26)24-14-16-7-3-1-4-8-16/h2,5-6,9-12,15-16,20H,1,3-4,7-8,14H2,(H,23,25)(H,24,26)
InChIKeyRCFRAEIHZRXQRG-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.80
Rot. Bonds6

About 2-[(5-cyano-2-pyridinyl)amino]-N-(cyclohexylmethyl)-2-phenylacetamide

2-[(5-cyano-2-pyridinyl)amino]-N-(cyclohexylmethyl)-2-phenylacetamide (PubChem CID 68965090) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[(5-cyano-2-pyridinyl)amino]-N-(cyclohexylmethyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[(5-cyano-2-pyridinyl)amino]-N-(cyclohexylmethyl)-2-phenylacetamide
PubChem CID68965090
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-[(5-cyano-2-pyridinyl)amino]-N-(cyclohexylmethyl)-2-phenylacetamide
SMILESN#Cc1ccc(NC(C(=O)NCC2CCCCC2)c2ccccc2)nc1
InChIInChI=1S/C21H24N4O/c22-13-17-11-12-19(23-15-17)25-20(18-9-5-2-6-10-18)21(26)24-14-16-7-3-1-4-8-16/h2,5-6,9-12,15-16,20H,1,3-4,7-8,14H2,(H,23,25)(H,24,26)
InChIKeyRCFRAEIHZRXQRG-UHFFFAOYSA-N
XLogP3.80
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-2-pyridinyl)amino]-N-(cyclohexylmethyl)-2-phenylacetamide?
The IUPAC name of 2-[(5-cyano-2-pyridinyl)amino]-N-(cyclohexylmethyl)-2-phenylacetamide (CID 68965090) is 2-[(5-cyano-2-pyridinyl)amino]-N-(cyclohexylmethyl)-2-phenylacetamide.
What is the SMILES notation for 2-[(5-cyano-2-pyridinyl)amino]-N-(cyclohexylmethyl)-2-phenylacetamide?
The canonical SMILES for 2-[(5-cyano-2-pyridinyl)amino]-N-(cyclohexylmethyl)-2-phenylacetamide is N#Cc1ccc(NC(C(=O)NCC2CCCCC2)c2ccccc2)nc1.
What is the InChIKey of 2-[(5-cyano-2-pyridinyl)amino]-N-(cyclohexylmethyl)-2-phenylacetamide?
The InChIKey is RCFRAEIHZRXQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c22-13-17-11-12-19(23-15-17)25-20(18-9-5-2-6-10-18)21(26)24-14-16-7-3-1-4-8-16/h2,5-6,9-12,15-16,20H,1,3-4,7-8,14H2,(H,23,25)(H,24,26).
What are the key properties of 2-[(5-cyano-2-pyridinyl)amino]-N-(cyclohexylmethyl)-2-phenylacetamide?
2-[(5-cyano-2-pyridinyl)amino]-N-(cyclohexylmethyl)-2-phenylacetamide has a molecular weight of 348.45 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-2-pyridinyl)amino]-N-(cyclohexylmethyl)-2-phenylacetamide is sourced from PubChem (CID 68965090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).