N-cycloheptyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide

C22H29N3O — CID 109239521

IUPACN-cycloheptyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
SMILESCC(C)c1ccccc1Nc1cncc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C22H29N3O/c1-16(2)20-11-7-8-12-21(20)24-19-13-17(14-23-15-19)22(26)25-18-9-5-3-4-6-10-18/h7-8,11-16,18,24H,3-6,9-10H2,1-2H3,(H,25,26)
InChIKeyXHHFUONCBCALGN-UHFFFAOYSA-N
MW351.49 g/mol
LogP5.40
Rot. Bonds5

About N-cycloheptyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide

N-cycloheptyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide (PubChem CID 109239521) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-cycloheptyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
PubChem CID109239521
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-cycloheptyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
SMILESCC(C)c1ccccc1Nc1cncc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C22H29N3O/c1-16(2)20-11-7-8-12-21(20)24-19-13-17(14-23-15-19)22(26)25-18-9-5-3-4-6-10-18/h7-8,11-16,18,24H,3-6,9-10H2,1-2H3,(H,25,26)
InChIKeyXHHFUONCBCALGN-UHFFFAOYSA-N
XLogP5.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109223659
N-cyclohexyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109226755
N-cyclopentyl-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109225985
5-anilino-N-cyclohexylpyridine-3-carboxamide
CID 109226711
5-(2-propan-2-ylanilino)-N-propylpyridine-3-carboxamide
CID 109222867
N-cycloheptyl-5-(3-methylanilino)pyridine-3-carboxamide
CID 109239507
N-cyclohexyl-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109226756
5-(4-bromo-2-methylanilino)-N-cyclohexylpyridine-3-carboxamide
CID 109226784
N-cyclohexyl-5-(2,4-difluoroanilino)pyridine-3-carboxamide
CID 109226790
N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109243797
5-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109224053
5-(2-cyanoanilino)-N-cyclopropylpyridine-3-carboxamide
CID 109223742

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide?
The IUPAC name of N-cycloheptyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide (CID 109239521) is N-cycloheptyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide is CC(C)c1ccccc1Nc1cncc(C(=O)NC2CCCCCC2)c1.
What is the InChIKey of N-cycloheptyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide?
The InChIKey is XHHFUONCBCALGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-16(2)20-11-7-8-12-21(20)24-19-13-17(14-23-15-19)22(26)25-18-9-5-3-4-6-10-18/h7-8,11-16,18,24H,3-6,9-10H2,1-2H3,(H,25,26).
What are the key properties of N-cycloheptyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide?
N-cycloheptyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide has a molecular weight of 351.49 g/mol, XLogP of 5.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109239521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).