N-[(1S)-1-(3-acetamidophenyl)ethyl]-2-chloro-6-(methylamino)pyridine-4-carboxamide

C17H19ClN4O2 — CID 95619756

IUPACN-[(1S)-1-(3-acetamidophenyl)ethyl]-2-chloro-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N[C@@H](C)c2cccc(NC(C)=O)c2)cc(Cl)n1
InChIInChI=1S/C17H19ClN4O2/c1-10(12-5-4-6-14(7-12)21-11(2)23)20-17(24)13-8-15(18)22-16(9-13)19-3/h4-10H,1-3H3,(H,19,22)(H,20,24)(H,21,23)/t10-/m0/s1
InChIKeyNYLNNGABPGFMMR-JTQLQIEISA-N
MW346.82 g/mol
LogP3.23
Rot. Bonds5

About N-[(1S)-1-(3-acetamidophenyl)ethyl]-2-chloro-6-(methylamino)pyridine-4-carboxamide

N-[(1S)-1-(3-acetamidophenyl)ethyl]-2-chloro-6-(methylamino)pyridine-4-carboxamide (PubChem CID 95619756) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is N-[(1S)-1-(3-acetamidophenyl)ethyl]-2-chloro-6-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-acetamidophenyl)ethyl]-2-chloro-6-(methylamino)pyridine-4-carboxamide
PubChem CID95619756
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC NameN-[(1S)-1-(3-acetamidophenyl)ethyl]-2-chloro-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N[C@@H](C)c2cccc(NC(C)=O)c2)cc(Cl)n1
InChIInChI=1S/C17H19ClN4O2/c1-10(12-5-4-6-14(7-12)21-11(2)23)20-17(24)13-8-15(18)22-16(9-13)19-3/h4-10H,1-3H3,(H,19,22)(H,20,24)(H,21,23)/t10-/m0/s1
InChIKeyNYLNNGABPGFMMR-JTQLQIEISA-N
XLogP3.23
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
2-chloro-6-(methylamino)-N-phenylpyridine-4-carboxamide
CID 55042308
2-chloro-6-hydrazinyl-N-(1-phenylethyl)pyridine-4-carboxamide
CID 62248298
2-chloro-N-(3-methoxyphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62167485
N-[(1R)-1-(3-acetamidophenyl)ethyl]-2-hydroxybenzamide
CID 38518872
N-[1-(3-acetamidophenyl)ethyl]-5-bromothiophene-3-carboxamide
CID 60735684
N-[1-(3-acetamidophenyl)ethyl]-2,5-dichlorothiophene-3-carboxamide
CID 55585286
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[3-[1-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetamide
CID 83152765
N-[1-(3-acetamidophenyl)ethyl]-2-acetylbenzamide
CID 71867003
2-chloro-6-(methylamino)-N-(4-methylpentan-2-yl)pyridine-4-carboxamide
CID 62169675
N-[1-(3-acetamidophenyl)ethyl]-2-(methylamino)propanamide
CID 62638247

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-acetamidophenyl)ethyl]-2-chloro-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(3-acetamidophenyl)ethyl]-2-chloro-6-(methylamino)pyridine-4-carboxamide (CID 95619756) is N-[(1S)-1-(3-acetamidophenyl)ethyl]-2-chloro-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-acetamidophenyl)ethyl]-2-chloro-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-acetamidophenyl)ethyl]-2-chloro-6-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)N[C@@H](C)c2cccc(NC(C)=O)c2)cc(Cl)n1.
What is the InChIKey of N-[(1S)-1-(3-acetamidophenyl)ethyl]-2-chloro-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is NYLNNGABPGFMMR-JTQLQIEISA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-10(12-5-4-6-14(7-12)21-11(2)23)20-17(24)13-8-15(18)22-16(9-13)19-3/h4-10H,1-3H3,(H,19,22)(H,20,24)(H,21,23)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(3-acetamidophenyl)ethyl]-2-chloro-6-(methylamino)pyridine-4-carboxamide?
N-[(1S)-1-(3-acetamidophenyl)ethyl]-2-chloro-6-(methylamino)pyridine-4-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 3.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-acetamidophenyl)ethyl]-2-chloro-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 95619756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).