N-benzyl-4-(cycloheptylamino)-N-propan-2-ylpyridine-2-carboxamide

C23H31N3O — CID 109217127

IUPACN-benzyl-4-(cycloheptylamino)-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cc(NC2CCCCCC2)ccn1
InChIInChI=1S/C23H31N3O/c1-18(2)26(17-19-10-6-5-7-11-19)23(27)22-16-21(14-15-24-22)25-20-12-8-3-4-9-13-20/h5-7,10-11,14-16,18,20H,3-4,8-9,12-13,17H2,1-2H3,(H,24,25)
InChIKeyLMNFRBUPOARIKE-UHFFFAOYSA-N
MW365.52 g/mol
LogP5.27
Rot. Bonds6

About N-benzyl-4-(cycloheptylamino)-N-propan-2-ylpyridine-2-carboxamide

N-benzyl-4-(cycloheptylamino)-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 109217127) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is N-benzyl-4-(cycloheptylamino)-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(cycloheptylamino)-N-propan-2-ylpyridine-2-carboxamide
PubChem CID109217127
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC NameN-benzyl-4-(cycloheptylamino)-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cc(NC2CCCCCC2)ccn1
InChIInChI=1S/C23H31N3O/c1-18(2)26(17-19-10-6-5-7-11-19)23(27)22-16-21(14-15-24-22)25-20-12-8-3-4-9-13-20/h5-7,10-11,14-16,18,20H,3-4,8-9,12-13,17H2,1-2H3,(H,24,25)
InChIKeyLMNFRBUPOARIKE-UHFFFAOYSA-N
XLogP5.27
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-(cycloheptylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109195349
N-benzyl-5-(cyclohexylamino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109274885
N-benzyl-4-(3,4-difluoroanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109217237
N-benzyl-4-(2-ethylpiperidin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 109217206
N-benzyl-6-(cyclopropylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360842
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
N-benzyl-N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109217230
4-(cycloheptylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210668
4-(cycloheptylamino)-N-ethylpyridine-2-carboxamide
CID 43517906
4-(cyclooctylamino)-N-ethylpyridine-2-carboxamide
CID 43517873
N-benzyl-4-(N-ethylanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109217216
2-N-benzyl-4-N-butan-2-yl-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109080007

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(cycloheptylamino)-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of N-benzyl-4-(cycloheptylamino)-N-propan-2-ylpyridine-2-carboxamide (CID 109217127) is N-benzyl-4-(cycloheptylamino)-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-4-(cycloheptylamino)-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for N-benzyl-4-(cycloheptylamino)-N-propan-2-ylpyridine-2-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1cc(NC2CCCCCC2)ccn1.
What is the InChIKey of N-benzyl-4-(cycloheptylamino)-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is LMNFRBUPOARIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-18(2)26(17-19-10-6-5-7-11-19)23(27)22-16-21(14-15-24-22)25-20-12-8-3-4-9-13-20/h5-7,10-11,14-16,18,20H,3-4,8-9,12-13,17H2,1-2H3,(H,24,25).
What are the key properties of N-benzyl-4-(cycloheptylamino)-N-propan-2-ylpyridine-2-carboxamide?
N-benzyl-4-(cycloheptylamino)-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 365.52 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(cycloheptylamino)-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 109217127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).