4-(cycloheptylamino)-N-(1-phenylethyl)pyridine-2-carboxamide

C21H27N3O — CID 109210668

IUPAC4-(cycloheptylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1cc(NC2CCCCCC2)ccn1)c1ccccc1
InChIInChI=1S/C21H27N3O/c1-16(17-9-5-4-6-10-17)23-21(25)20-15-19(13-14-22-20)24-18-11-7-2-3-8-12-18/h4-6,9-10,13-16,18H,2-3,7-8,11-12H2,1H3,(H,22,24)(H,23,25)
InChIKeyKIEGHJPISGTRPN-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.71
Rot. Bonds5

About 4-(cycloheptylamino)-N-(1-phenylethyl)pyridine-2-carboxamide

4-(cycloheptylamino)-N-(1-phenylethyl)pyridine-2-carboxamide (PubChem CID 109210668) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 4-(cycloheptylamino)-N-(1-phenylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(cycloheptylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
PubChem CID109210668
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name4-(cycloheptylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1cc(NC2CCCCCC2)ccn1)c1ccccc1
InChIInChI=1S/C21H27N3O/c1-16(17-9-5-4-6-10-17)23-21(25)20-15-19(13-14-22-20)24-18-11-7-2-3-8-12-18/h4-6,9-10,13-16,18H,2-3,7-8,11-12H2,1H3,(H,22,24)(H,23,25)
InChIKeyKIEGHJPISGTRPN-UHFFFAOYSA-N
XLogP4.71
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-4-(cyclopentylamino)pyridine-2-carboxamide
CID 109203234
6-(cycloheptylamino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109369260
6-(cyclopentylamino)-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 109112098
4-(4-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210681
4-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109203446
4-(2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210679
4-(cyclooctylamino)-N-ethylpyridine-2-carboxamide
CID 43517873
4-(cycloheptylamino)-N-ethylpyridine-2-carboxamide
CID 43517906
N-(1-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109210644
N-(2-chlorophenyl)-4-(cyclohexylamino)pyridine-2-carboxamide
CID 109204995
N-benzyl-4-(cycloheptylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109217127
4-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210674

Frequently Asked Questions

What is the IUPAC name of 4-(cycloheptylamino)-N-(1-phenylethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(cycloheptylamino)-N-(1-phenylethyl)pyridine-2-carboxamide (CID 109210668) is 4-(cycloheptylamino)-N-(1-phenylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(cycloheptylamino)-N-(1-phenylethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(cycloheptylamino)-N-(1-phenylethyl)pyridine-2-carboxamide is CC(NC(=O)c1cc(NC2CCCCCC2)ccn1)c1ccccc1.
What is the InChIKey of 4-(cycloheptylamino)-N-(1-phenylethyl)pyridine-2-carboxamide?
The InChIKey is KIEGHJPISGTRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-16(17-9-5-4-6-10-17)23-21(25)20-15-19(13-14-22-20)24-18-11-7-2-3-8-12-18/h4-6,9-10,13-16,18H,2-3,7-8,11-12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-(cycloheptylamino)-N-(1-phenylethyl)pyridine-2-carboxamide?
4-(cycloheptylamino)-N-(1-phenylethyl)pyridine-2-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cycloheptylamino)-N-(1-phenylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109210668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).