N-(4-tert-butylphenyl)-5-(cyclopentylamino)pyridine-2-carboxamide

C21H27N3O — CID 109182449

IUPACN-(4-tert-butylphenyl)-5-(cyclopentylamino)pyridine-2-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(NC3CCCC3)cn2)cc1
InChIInChI=1S/C21H27N3O/c1-21(2,3)15-8-10-17(11-9-15)24-20(25)19-13-12-18(14-22-19)23-16-6-4-5-7-16/h8-14,16,23H,4-7H2,1-3H3,(H,24,25)
InChIKeyRQUQTDYWNWAHOV-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.99
Rot. Bonds4

About N-(4-tert-butylphenyl)-5-(cyclopentylamino)pyridine-2-carboxamide

N-(4-tert-butylphenyl)-5-(cyclopentylamino)pyridine-2-carboxamide (PubChem CID 109182449) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-5-(cyclopentylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-5-(cyclopentylamino)pyridine-2-carboxamide
PubChem CID109182449
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-(4-tert-butylphenyl)-5-(cyclopentylamino)pyridine-2-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(NC3CCCC3)cn2)cc1
InChIInChI=1S/C21H27N3O/c1-21(2,3)15-8-10-17(11-9-15)24-20(25)19-13-12-18(14-22-19)23-16-6-4-5-7-16/h8-14,16,23H,4-7H2,1-3H3,(H,24,25)
InChIKeyRQUQTDYWNWAHOV-UHFFFAOYSA-N
XLogP4.99
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-tert-butylphenyl)-5-(cyclopentylamino)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(cyclohexylamino)-N-phenylpyridine-2-carboxamide
CID 109183141
5-(cyclopentylamino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109182436
5-(tert-butylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 109195203
5-(cyclopropylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109180137
5-(cyclohexylamino)-N-(3,4-dichlorophenyl)pyridine-2-carboxamide
CID 109183218
5-(cyclohexylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109179444
5-(cyclohexylamino)-N-cyclopropylpyridine-2-carboxamide
CID 109179840
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyridine-2-carboxamide
CID 109182511
5-(cyclopentylamino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180232
N-(3-acetamidophenyl)-5-(cyclopropylamino)pyridine-2-carboxamide
CID 109180174
N-(2-chlorophenyl)-5-(cyclopentylamino)pyridine-2-carboxamide
CID 109182452
5-(cyclohexylamino)-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 109183205

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-5-(cyclopentylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-5-(cyclopentylamino)pyridine-2-carboxamide (CID 109182449) is N-(4-tert-butylphenyl)-5-(cyclopentylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-5-(cyclopentylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-5-(cyclopentylamino)pyridine-2-carboxamide is CC(C)(C)c1ccc(NC(=O)c2ccc(NC3CCCC3)cn2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-5-(cyclopentylamino)pyridine-2-carboxamide?
The InChIKey is RQUQTDYWNWAHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-21(2,3)15-8-10-17(11-9-15)24-20(25)19-13-12-18(14-22-19)23-16-6-4-5-7-16/h8-14,16,23H,4-7H2,1-3H3,(H,24,25).
What are the key properties of N-(4-tert-butylphenyl)-5-(cyclopentylamino)pyridine-2-carboxamide?
N-(4-tert-butylphenyl)-5-(cyclopentylamino)pyridine-2-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-5-(cyclopentylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109182449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).