6-[[(2S)-1-(benzylamino)-1-oxopropan-2-yl]amino]-5-chloropyridine-3-carboxamide

C16H17ClN4O2 — CID 94588614

IUPAC6-[[(2S)-1-(benzylamino)-1-oxopropan-2-yl]amino]-5-chloropyridine-3-carboxamide
SMILESC[C@H](Nc1ncc(C(N)=O)cc1Cl)C(=O)NCc1ccccc1
InChIInChI=1S/C16H17ClN4O2/c1-10(16(23)20-8-11-5-3-2-4-6-11)21-15-13(17)7-12(9-19-15)14(18)22/h2-7,9-10H,8H2,1H3,(H2,18,22)(H,19,21)(H,20,23)/t10-/m0/s1
InChIKeySVEXMKZTSYFMED-JTQLQIEISA-N
MW332.79 g/mol
LogP1.95
Rot. Bonds6

About 6-[[(2S)-1-(benzylamino)-1-oxopropan-2-yl]amino]-5-chloropyridine-3-carboxamide

6-[[(2S)-1-(benzylamino)-1-oxopropan-2-yl]amino]-5-chloropyridine-3-carboxamide (PubChem CID 94588614) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 6-[[(2S)-1-(benzylamino)-1-oxopropan-2-yl]amino]-5-chloropyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(2S)-1-(benzylamino)-1-oxopropan-2-yl]amino]-5-chloropyridine-3-carboxamide
PubChem CID94588614
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name6-[[(2S)-1-(benzylamino)-1-oxopropan-2-yl]amino]-5-chloropyridine-3-carboxamide
SMILESC[C@H](Nc1ncc(C(N)=O)cc1Cl)C(=O)NCc1ccccc1
InChIInChI=1S/C16H17ClN4O2/c1-10(16(23)20-8-11-5-3-2-4-6-11)21-15-13(17)7-12(9-19-15)14(18)22/h2-7,9-10H,8H2,1H3,(H2,18,22)(H,19,21)(H,20,23)/t10-/m0/s1
InChIKeySVEXMKZTSYFMED-JTQLQIEISA-N
XLogP1.95
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-[(1-cyclopropyl-2-phenylethyl)amino]pyridine-3-carboxamide
CID 133322616
N-benzyl-2-[(2-chloro-4-pyridinyl)amino]propanamide
CID 133360082
(2R)-2-anilino-N-[(4-chlorophenyl)methyl]propanamide
CID 25346914
5-chloro-6-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide
CID 133272654
6-[1-(4-benzylmorpholin-2-yl)propylamino]-5-chloropyridine-3-carboxamide
CID 133364240
6-[(1-benzylcyclopropyl)methylamino]-5-chloropyridine-3-carboxamide
CID 133395258
6-amino-N-benzyl-5-chloropyridine-3-carboxamide
CID 62153073
5-chloro-6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carboxamide
CID 133398414
5-chloro-6-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]pyridine-3-carboxamide
CID 95770496
2-[(5-bromo-3-chloro-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide
CID 103582611
5-chloro-6-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyridine-3-carboxamide
CID 133477282
5-chloro-6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid
CID 54950742

Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-1-(benzylamino)-1-oxopropan-2-yl]amino]-5-chloropyridine-3-carboxamide?
The IUPAC name of 6-[[(2S)-1-(benzylamino)-1-oxopropan-2-yl]amino]-5-chloropyridine-3-carboxamide (CID 94588614) is 6-[[(2S)-1-(benzylamino)-1-oxopropan-2-yl]amino]-5-chloropyridine-3-carboxamide.
What is the SMILES notation for 6-[[(2S)-1-(benzylamino)-1-oxopropan-2-yl]amino]-5-chloropyridine-3-carboxamide?
The canonical SMILES for 6-[[(2S)-1-(benzylamino)-1-oxopropan-2-yl]amino]-5-chloropyridine-3-carboxamide is C[C@H](Nc1ncc(C(N)=O)cc1Cl)C(=O)NCc1ccccc1.
What is the InChIKey of 6-[[(2S)-1-(benzylamino)-1-oxopropan-2-yl]amino]-5-chloropyridine-3-carboxamide?
The InChIKey is SVEXMKZTSYFMED-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-10(16(23)20-8-11-5-3-2-4-6-11)21-15-13(17)7-12(9-19-15)14(18)22/h2-7,9-10H,8H2,1H3,(H2,18,22)(H,19,21)(H,20,23)/t10-/m0/s1.
What are the key properties of 6-[[(2S)-1-(benzylamino)-1-oxopropan-2-yl]amino]-5-chloropyridine-3-carboxamide?
6-[[(2S)-1-(benzylamino)-1-oxopropan-2-yl]amino]-5-chloropyridine-3-carboxamide has a molecular weight of 332.79 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-1-(benzylamino)-1-oxopropan-2-yl]amino]-5-chloropyridine-3-carboxamide is sourced from PubChem (CID 94588614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).