2-amino-5-chloro-N-(4-propylphenyl)pyridine-4-carboxamide

C15H16ClN3O — CID 114922194

IUPAC2-amino-5-chloro-N-(4-propylphenyl)pyridine-4-carboxamide
SMILESCCCc1ccc(NC(=O)c2cc(N)ncc2Cl)cc1
InChIInChI=1S/C15H16ClN3O/c1-2-3-10-4-6-11(7-5-10)19-15(20)12-8-14(17)18-9-13(12)16/h4-9H,2-3H2,1H3,(H2,17,18)(H,19,20)
InChIKeyPVPUQSDSRKRWCC-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.52
Rot. Bonds4

About 2-amino-5-chloro-N-(4-propylphenyl)pyridine-4-carboxamide

2-amino-5-chloro-N-(4-propylphenyl)pyridine-4-carboxamide (PubChem CID 114922194) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(4-propylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(4-propylphenyl)pyridine-4-carboxamide
PubChem CID114922194
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name2-amino-5-chloro-N-(4-propylphenyl)pyridine-4-carboxamide
SMILESCCCc1ccc(NC(=O)c2cc(N)ncc2Cl)cc1
InChIInChI=1S/C15H16ClN3O/c1-2-3-10-4-6-11(7-5-10)19-15(20)12-8-14(17)18-9-13(12)16/h4-9H,2-3H2,1H3,(H2,17,18)(H,19,20)
InChIKeyPVPUQSDSRKRWCC-UHFFFAOYSA-N
XLogP3.52
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-(4-propylphenyl)pyridine-3-carboxamide
CID 62154771
2-chloro-4,5-difluoro-N-(4-propylphenyl)benzamide
CID 26178128
2-amino-5-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-4-carboxamide
CID 114922684
2-amino-5-chloro-N-pyrimidin-5-ylpyridine-4-carboxamide
CID 107589913
2-amino-5-chloro-N-thiophen-3-ylpyridine-4-carboxamide
CID 114923968
3-amino-4-chloro-N-(4-propylphenyl)benzamide
CID 43378583
5-chloro-N-(4-ethylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921935
2-amino-5-chloro-N-methylpyridine-4-carboxamide
CID 114921748
2-amino-5-chloro-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide
CID 114921441
2-amino-5-chloro-N-octylpyridine-4-carboxamide
CID 114924255
2-amino-5-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 114923423
2-amino-5-chloro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide
CID 114921690

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(4-propylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-chloro-N-(4-propylphenyl)pyridine-4-carboxamide (CID 114922194) is 2-amino-5-chloro-N-(4-propylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-chloro-N-(4-propylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-chloro-N-(4-propylphenyl)pyridine-4-carboxamide is CCCc1ccc(NC(=O)c2cc(N)ncc2Cl)cc1.
What is the InChIKey of 2-amino-5-chloro-N-(4-propylphenyl)pyridine-4-carboxamide?
The InChIKey is PVPUQSDSRKRWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-2-3-10-4-6-11(7-5-10)19-15(20)12-8-14(17)18-9-13(12)16/h4-9H,2-3H2,1H3,(H2,17,18)(H,19,20).
What are the key properties of 2-amino-5-chloro-N-(4-propylphenyl)pyridine-4-carboxamide?
2-amino-5-chloro-N-(4-propylphenyl)pyridine-4-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(4-propylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 114922194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).