5-(4-tert-butylanilino)-N-cyclopentylpyridine-3-carboxamide

C21H27N3O — CID 109225984

IUPAC5-(4-tert-butylanilino)-N-cyclopentylpyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(Nc2cncc(C(=O)NC3CCCC3)c2)cc1
InChIInChI=1S/C21H27N3O/c1-21(2,3)16-8-10-18(11-9-16)23-19-12-15(13-22-14-19)20(25)24-17-6-4-5-7-17/h8-14,17,23H,4-7H2,1-3H3,(H,24,25)
InChIKeyXUSKXCYFOWINBA-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.80
Rot. Bonds4

About 5-(4-tert-butylanilino)-N-cyclopentylpyridine-3-carboxamide

5-(4-tert-butylanilino)-N-cyclopentylpyridine-3-carboxamide (PubChem CID 109225984) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 5-(4-tert-butylanilino)-N-cyclopentylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-tert-butylanilino)-N-cyclopentylpyridine-3-carboxamide
PubChem CID109225984
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name5-(4-tert-butylanilino)-N-cyclopentylpyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(Nc2cncc(C(=O)NC3CCCC3)c2)cc1
InChIInChI=1S/C21H27N3O/c1-21(2,3)16-8-10-18(11-9-16)23-19-12-15(13-22-14-19)20(25)24-17-6-4-5-7-17/h8-14,17,23H,4-7H2,1-3H3,(H,24,25)
InChIKeyXUSKXCYFOWINBA-UHFFFAOYSA-N
XLogP4.80
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 ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-acetamidoanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109226017
5-anilino-N-cyclohexylpyridine-3-carboxamide
CID 109226711
N-cyclohexyl-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109226756
N-cyclohexyl-5-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 109226796
N-cycloheptyl-5-(3-methylanilino)pyridine-3-carboxamide
CID 109239507
N-cyclopentyl-5-(3,5-dichloroanilino)pyridine-3-carboxamide
CID 109226052
5-(4-tert-butylanilino)-N-propylpyridine-3-carboxamide
CID 109222873
5-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-3-carboxamide
CID 109239565
5-(1,3-benzodioxol-5-ylamino)-N-cyclohexylpyridine-3-carboxamide
CID 109226786
5-(cyclopentylamino)-N-cyclopropylpyridine-3-carboxamide
CID 109223558
5-(4-tert-butylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242026
3-N-cyclopentyl-5-N-cyclopropylpyridine-3,5-dicarboxamide
CID 109101527

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylanilino)-N-cyclopentylpyridine-3-carboxamide?
The IUPAC name of 5-(4-tert-butylanilino)-N-cyclopentylpyridine-3-carboxamide (CID 109225984) is 5-(4-tert-butylanilino)-N-cyclopentylpyridine-3-carboxamide.
What is the SMILES notation for 5-(4-tert-butylanilino)-N-cyclopentylpyridine-3-carboxamide?
The canonical SMILES for 5-(4-tert-butylanilino)-N-cyclopentylpyridine-3-carboxamide is CC(C)(C)c1ccc(Nc2cncc(C(=O)NC3CCCC3)c2)cc1.
What is the InChIKey of 5-(4-tert-butylanilino)-N-cyclopentylpyridine-3-carboxamide?
The InChIKey is XUSKXCYFOWINBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-21(2,3)16-8-10-18(11-9-16)23-19-12-15(13-22-14-19)20(25)24-17-6-4-5-7-17/h8-14,17,23H,4-7H2,1-3H3,(H,24,25).
What are the key properties of 5-(4-tert-butylanilino)-N-cyclopentylpyridine-3-carboxamide?
5-(4-tert-butylanilino)-N-cyclopentylpyridine-3-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylanilino)-N-cyclopentylpyridine-3-carboxamide is sourced from PubChem (CID 109225984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).