4-chloro-N-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]pyridine-2-carboxamide

C17H18ClN3O2 — CID 9427363

IUPAC4-chloro-N-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]pyridine-2-carboxamide
SMILESC[C@H](CNC(=O)CNC(=O)c1cc(Cl)ccn1)c1ccccc1
InChIInChI=1S/C17H18ClN3O2/c1-12(13-5-3-2-4-6-13)10-20-16(22)11-21-17(23)15-9-14(18)7-8-19-15/h2-9,12H,10-11H2,1H3,(H,20,22)(H,21,23)/t12-/m1/s1
InChIKeyBBNPQBKGIQFQIQ-GFCCVEGCSA-N
MW331.80 g/mol
LogP2.38
Rot. Bonds6

About 4-chloro-N-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]pyridine-2-carboxamide

4-chloro-N-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]pyridine-2-carboxamide (PubChem CID 9427363) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 4-chloro-N-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]pyridine-2-carboxamide
PubChem CID9427363
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name4-chloro-N-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]pyridine-2-carboxamide
SMILESC[C@H](CNC(=O)CNC(=O)c1cc(Cl)ccn1)c1ccccc1
InChIInChI=1S/C17H18ClN3O2/c1-12(13-5-3-2-4-6-13)10-20-16(22)11-21-17(23)15-9-14(18)7-8-19-15/h2-9,12H,10-11H2,1H3,(H,20,22)(H,21,23)/t12-/m1/s1
InChIKeyBBNPQBKGIQFQIQ-GFCCVEGCSA-N
XLogP2.38
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]pyridine-2-carboxamide with MolForge

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Related Compounds

4-chloro-N-[2-oxo-2-(1-phenylbutylamino)ethyl]pyridine-2-carboxamide
CID 18115585
4-chloro-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
CID 17400868
N-[(2R)-2-phenylpropyl]pyridine-2-carboxamide
CID 9302014
4-chloro-N-[2-(N-methylanilino)propyl]pyridine-2-carboxamide
CID 86990770
4-chloro-N-[2-oxo-2-(phenylmethoxyamino)ethyl]pyridine-2-carboxamide
CID 9227627
2-(2,4-dichlorophenyl)-N-[(2S)-2-phenylpropyl]acetamide
CID 9302274
4-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 24667080
2-chloro-N-(2-phenylpropyl)pyridine-4-carboxamide
CID 46520684
4-chloro-N-[2-(3-methylanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 9039107
4-methyl-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
CID 17400864
4-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 9068732
[(2S)-1-anilino-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
CID 8854260

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]pyridine-2-carboxamide (CID 9427363) is 4-chloro-N-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]pyridine-2-carboxamide is C[C@H](CNC(=O)CNC(=O)c1cc(Cl)ccn1)c1ccccc1.
What is the InChIKey of 4-chloro-N-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]pyridine-2-carboxamide?
The InChIKey is BBNPQBKGIQFQIQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-12(13-5-3-2-4-6-13)10-20-16(22)11-21-17(23)15-9-14(18)7-8-19-15/h2-9,12H,10-11H2,1H3,(H,20,22)(H,21,23)/t12-/m1/s1.
What are the key properties of 4-chloro-N-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]pyridine-2-carboxamide?
4-chloro-N-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]pyridine-2-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 9427363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).