5-(4-acetamidoanilino)-N-cyclopentylpyridine-3-carboxamide

C19H22N4O2 — CID 109226017

IUPAC5-(4-acetamidoanilino)-N-cyclopentylpyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(Nc2cncc(C(=O)NC3CCCC3)c2)cc1
InChIInChI=1S/C19H22N4O2/c1-13(24)21-16-6-8-17(9-7-16)22-18-10-14(11-20-12-18)19(25)23-15-4-2-3-5-15/h6-12,15,22H,2-5H2,1H3,(H,21,24)(H,23,25)
InChIKeyVBBMMUNVRFOSIA-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.46
Rot. Bonds5

About 5-(4-acetamidoanilino)-N-cyclopentylpyridine-3-carboxamide

5-(4-acetamidoanilino)-N-cyclopentylpyridine-3-carboxamide (PubChem CID 109226017) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 5-(4-acetamidoanilino)-N-cyclopentylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-acetamidoanilino)-N-cyclopentylpyridine-3-carboxamide
PubChem CID109226017
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name5-(4-acetamidoanilino)-N-cyclopentylpyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(Nc2cncc(C(=O)NC3CCCC3)c2)cc1
InChIInChI=1S/C19H22N4O2/c1-13(24)21-16-6-8-17(9-7-16)22-18-10-14(11-20-12-18)19(25)23-15-4-2-3-5-15/h6-12,15,22H,2-5H2,1H3,(H,21,24)(H,23,25)
InChIKeyVBBMMUNVRFOSIA-UHFFFAOYSA-N
XLogP3.46
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-tert-butylanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109225984
5-anilino-N-cyclohexylpyridine-3-carboxamide
CID 109226711
N-cyclohexyl-5-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 109226796
N-cyclohexyl-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109226756
N-cycloheptyl-5-(3-methylanilino)pyridine-3-carboxamide
CID 109239507
N-cyclopentyl-5-(3,5-dichloroanilino)pyridine-3-carboxamide
CID 109226052
4-acetamido-N-cyclooctylbenzamide
CID 2990044
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-acetamidoanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109183029
3-N-cyclopentyl-5-N-cyclopropylpyridine-3,5-dicarboxamide
CID 109101527

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetamidoanilino)-N-cyclopentylpyridine-3-carboxamide?
The IUPAC name of 5-(4-acetamidoanilino)-N-cyclopentylpyridine-3-carboxamide (CID 109226017) is 5-(4-acetamidoanilino)-N-cyclopentylpyridine-3-carboxamide.
What is the SMILES notation for 5-(4-acetamidoanilino)-N-cyclopentylpyridine-3-carboxamide?
The canonical SMILES for 5-(4-acetamidoanilino)-N-cyclopentylpyridine-3-carboxamide is CC(=O)Nc1ccc(Nc2cncc(C(=O)NC3CCCC3)c2)cc1.
What is the InChIKey of 5-(4-acetamidoanilino)-N-cyclopentylpyridine-3-carboxamide?
The InChIKey is VBBMMUNVRFOSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13(24)21-16-6-8-17(9-7-16)22-18-10-14(11-20-12-18)19(25)23-15-4-2-3-5-15/h6-12,15,22H,2-5H2,1H3,(H,21,24)(H,23,25).
What are the key properties of 5-(4-acetamidoanilino)-N-cyclopentylpyridine-3-carboxamide?
5-(4-acetamidoanilino)-N-cyclopentylpyridine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetamidoanilino)-N-cyclopentylpyridine-3-carboxamide is sourced from PubChem (CID 109226017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).