N-(5-chloro-2-pyridinyl)-2-[[(2S)-2-ethoxypropanoyl]amino]benzamide

C17H18ClN3O3 — CID 95161224

IUPACN-(5-chloro-2-pyridinyl)-2-[[(2S)-2-ethoxypropanoyl]amino]benzamide
SMILESCCO[C@@H](C)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C17H18ClN3O3/c1-3-24-11(2)16(22)20-14-7-5-4-6-13(14)17(23)21-15-9-8-12(18)10-19-15/h4-11H,3H2,1-2H3,(H,20,22)(H,19,21,23)/t11-/m0/s1
InChIKeyHGLSRPVQZWLQGY-NSHDSACASA-N
MW347.80 g/mol
LogP3.35
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-2-[[(2S)-2-ethoxypropanoyl]amino]benzamide

N-(5-chloro-2-pyridinyl)-2-[[(2S)-2-ethoxypropanoyl]amino]benzamide (PubChem CID 95161224) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[[(2S)-2-ethoxypropanoyl]amino]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[[(2S)-2-ethoxypropanoyl]amino]benzamide
PubChem CID95161224
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[[(2S)-2-ethoxypropanoyl]amino]benzamide
SMILESCCO[C@@H](C)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C17H18ClN3O3/c1-3-24-11(2)16(22)20-14-7-5-4-6-13(14)17(23)21-15-9-8-12(18)10-19-15/h4-11H,3H2,1-2H3,(H,20,22)(H,19,21,23)/t11-/m0/s1
InChIKeyHGLSRPVQZWLQGY-NSHDSACASA-N
XLogP3.35
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(5-chloro-2-pyridinyl)-2-methylbenzamide
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1-(5-chloro-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea
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N-(5-chloro-2-pyridinyl)-2-[(4-methylphenyl)methylamino]benzamide
CID 142082926
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CID 2601008
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[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] benzoate
CID 2517073
[(3R)-1-propan-2-ylpyrrolidin-3-yl] N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamate
CID 59101512
N-(5-chloro-2-pyridinyl)-2-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]carbamoylamino]benzamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[(2S)-2-ethoxypropanoyl]amino]benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[(2S)-2-ethoxypropanoyl]amino]benzamide (CID 95161224) is N-(5-chloro-2-pyridinyl)-2-[[(2S)-2-ethoxypropanoyl]amino]benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[[(2S)-2-ethoxypropanoyl]amino]benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[[(2S)-2-ethoxypropanoyl]amino]benzamide is CCO[C@@H](C)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[[(2S)-2-ethoxypropanoyl]amino]benzamide?
The InChIKey is HGLSRPVQZWLQGY-NSHDSACASA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-3-24-11(2)16(22)20-14-7-5-4-6-13(14)17(23)21-15-9-8-12(18)10-19-15/h4-11H,3H2,1-2H3,(H,20,22)(H,19,21,23)/t11-/m0/s1.
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[[(2S)-2-ethoxypropanoyl]amino]benzamide?
N-(5-chloro-2-pyridinyl)-2-[[(2S)-2-ethoxypropanoyl]amino]benzamide has a molecular weight of 347.80 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[[(2S)-2-ethoxypropanoyl]amino]benzamide is sourced from PubChem (CID 95161224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).