6-chloro-4-(1-phenylethylamino)pyridine-3-carboxamide

C14H14ClN3O — CID 76789381

IUPAC6-chloro-4-(1-phenylethylamino)pyridine-3-carboxamide
SMILESCC(Nc1cc(Cl)ncc1C(N)=O)c1ccccc1
InChIInChI=1S/C14H14ClN3O/c1-9(10-5-3-2-4-6-10)18-12-7-13(15)17-8-11(12)14(16)19/h2-9H,1H3,(H2,16,19)(H,17,18)
InChIKeyLVKKADXYMSEPPU-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.01
Rot. Bonds4

About 6-chloro-4-(1-phenylethylamino)pyridine-3-carboxamide

6-chloro-4-(1-phenylethylamino)pyridine-3-carboxamide (PubChem CID 76789381) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 6-chloro-4-(1-phenylethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-(1-phenylethylamino)pyridine-3-carboxamide
PubChem CID76789381
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name6-chloro-4-(1-phenylethylamino)pyridine-3-carboxamide
SMILESCC(Nc1cc(Cl)ncc1C(N)=O)c1ccccc1
InChIInChI=1S/C14H14ClN3O/c1-9(10-5-3-2-4-6-10)18-12-7-13(15)17-8-11(12)14(16)19/h2-9H,1H3,(H2,16,19)(H,17,18)
InChIKeyLVKKADXYMSEPPU-UHFFFAOYSA-N
XLogP3.01
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-[4-(dimethylcarbamoyl)anilino]-4-[[(1R)-1-phenylethyl]amino]pyridine-3-carboxamide
CID 118673045
4-bromo-2-[[(1R)-1-phenylethyl]amino]benzamide
CID 125464660
2-amino-3-(1-phenylethylamino)benzamide
CID 113332401
2-[[(1S)-1-phenylethyl]amino]pyrimidine-5-carboxamide
CID 141139654
6-chloro-4-[(2-methylsulfanylphenyl)methylamino]pyridine-3-carboxamide
CID 58440080
6-chloro-4-[[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]amino]-N-methylpyridine-3-carboxamide
CID 90135455
3-amino-4-(1-phenylethylamino)benzamide
CID 43448333
3-amino-4-[[(1R)-1-phenylethyl]amino]benzamide
CID 93050367
4-(3-bromoanilino)-6-chloropyridine-3-carboxamide;ethane
CID 144625083
5-chloro-N-[(1S)-1-phenylethyl]pyrazin-2-amine
CID 142671286
2-[3-(methylamino)anilino]-4-[[(1R)-1-phenylethyl]amino]pyrimidine-5-carboxamide
CID 70832990
3-chloro-4-(1-phenylethylamino)benzoic acid
CID 63088121

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(1-phenylethylamino)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-4-(1-phenylethylamino)pyridine-3-carboxamide (CID 76789381) is 6-chloro-4-(1-phenylethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-(1-phenylethylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-4-(1-phenylethylamino)pyridine-3-carboxamide is CC(Nc1cc(Cl)ncc1C(N)=O)c1ccccc1.
What is the InChIKey of 6-chloro-4-(1-phenylethylamino)pyridine-3-carboxamide?
The InChIKey is LVKKADXYMSEPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-9(10-5-3-2-4-6-10)18-12-7-13(15)17-8-11(12)14(16)19/h2-9H,1H3,(H2,16,19)(H,17,18).
What are the key properties of 6-chloro-4-(1-phenylethylamino)pyridine-3-carboxamide?
6-chloro-4-(1-phenylethylamino)pyridine-3-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(1-phenylethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 76789381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).