5-(cycloheptylamino)-N-propan-2-ylpyridine-3-carboxamide

C16H25N3O — CID 109223234

IUPAC5-(cycloheptylamino)-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cncc(NC2CCCCCC2)c1
InChIInChI=1S/C16H25N3O/c1-12(2)18-16(20)13-9-15(11-17-10-13)19-14-7-5-3-4-6-8-14/h9-12,14,19H,3-8H2,1-2H3,(H,18,20)
InChIKeyCZXAOCZPSULEEE-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.35
Rot. Bonds4

About 5-(cycloheptylamino)-N-propan-2-ylpyridine-3-carboxamide

5-(cycloheptylamino)-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 109223234) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-(cycloheptylamino)-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(cycloheptylamino)-N-propan-2-ylpyridine-3-carboxamide
PubChem CID109223234
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name5-(cycloheptylamino)-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cncc(NC2CCCCCC2)c1
InChIInChI=1S/C16H25N3O/c1-12(2)18-16(20)13-9-15(11-17-10-13)19-14-7-5-3-4-6-8-14/h9-12,14,19H,3-8H2,1-2H3,(H,18,20)
InChIKeyCZXAOCZPSULEEE-UHFFFAOYSA-N
XLogP3.35
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclopentylamino)-N-cyclopropylpyridine-3-carboxamide
CID 109223558
3-(cycloheptylamino)-N-propan-2-ylbenzamide
CID 43693920
methyl 4-[[5-(cyclohexylamino)pyridine-3-carbonyl]amino]benzoate
CID 109226950
N-(3-acetamidophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226946
N-(3-acetylphenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226944
N-(4-bromophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226928
5-(cycloheptylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109239626
5-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyridine-3-carboxamide
CID 109226240
5-(cyclopentylamino)-N-pentylpyridine-3-carboxamide
CID 109226139
N-(4-chloro-2,5-dimethoxyphenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226984
5-(cycloheptylamino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 109239634
5-(cyclohexylamino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 109226939

Frequently Asked Questions

What is the IUPAC name of 5-(cycloheptylamino)-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 5-(cycloheptylamino)-N-propan-2-ylpyridine-3-carboxamide (CID 109223234) is 5-(cycloheptylamino)-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-(cycloheptylamino)-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5-(cycloheptylamino)-N-propan-2-ylpyridine-3-carboxamide is CC(C)NC(=O)c1cncc(NC2CCCCCC2)c1.
What is the InChIKey of 5-(cycloheptylamino)-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is CZXAOCZPSULEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(2)18-16(20)13-9-15(11-17-10-13)19-14-7-5-3-4-6-8-14/h9-12,14,19H,3-8H2,1-2H3,(H,18,20).
What are the key properties of 5-(cycloheptylamino)-N-propan-2-ylpyridine-3-carboxamide?
5-(cycloheptylamino)-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cycloheptylamino)-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 109223234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).