N-(5-chloro-2-pyridinyl)-4-(propanoylamino)benzamide

C15H14ClN3O2 — CID 2988082

IUPACN-(5-chloro-2-pyridinyl)-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C15H14ClN3O2/c1-2-14(20)18-12-6-3-10(4-7-12)15(21)19-13-8-5-11(16)9-17-13/h3-9H,2H2,1H3,(H,18,20)(H,17,19,21)
InChIKeyJSDLQEQUIATRDY-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.34
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-4-(propanoylamino)benzamide

N-(5-chloro-2-pyridinyl)-4-(propanoylamino)benzamide (PubChem CID 2988082) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-(propanoylamino)benzamide
PubChem CID2988082
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC NameN-(5-chloro-2-pyridinyl)-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C15H14ClN3O2/c1-2-14(20)18-12-6-3-10(4-7-12)15(21)19-13-8-5-11(16)9-17-13/h3-9H,2H2,1H3,(H,18,20)(H,17,19,21)
InChIKeyJSDLQEQUIATRDY-UHFFFAOYSA-N
XLogP3.34
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzamide
CID 113030423
4-chloro-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027275
N-(5-chloro-2-pyridinyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104640067
N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide
CID 121063265
5-chloro-2-[[4-(propanoylamino)benzoyl]amino]benzoic acid
CID 888716
4-chloro-2-[[4-(propanoylamino)benzoyl]amino]benzoic acid
CID 804402
N-(5-chloro-2-pyridinyl)-4-propan-2-yloxybenzamide
CID 33327699
4-chloro-N-[1-[(5-chloro-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 43019519
4-chloro-N-[5-(2-ethoxyanilino)-2-pyridinyl]benzamide
CID 113034282
N-(5-chloro-2-pyridinyl)-4-(5-propyl-2-pyridinyl)benzamide
CID 23740078
N-(5-chloro-2-pyridinyl)-5-(methylamino)pyridine-2-carboxamide
CID 104640066
N-(5-chloro-2-pyridinyl)-4-(ethylamino)-3,5-difluorobenzamide
CID 63187369

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-(propanoylamino)benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-(propanoylamino)benzamide (CID 2988082) is N-(5-chloro-2-pyridinyl)-4-(propanoylamino)benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-(propanoylamino)benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-(propanoylamino)benzamide is CCC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-(propanoylamino)benzamide?
The InChIKey is JSDLQEQUIATRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-2-14(20)18-12-6-3-10(4-7-12)15(21)19-13-8-5-11(16)9-17-13/h3-9H,2H2,1H3,(H,18,20)(H,17,19,21).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-(propanoylamino)benzamide?
N-(5-chloro-2-pyridinyl)-4-(propanoylamino)benzamide has a molecular weight of 303.75 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-4-(propanoylamino)benzamide is sourced from PubChem (CID 2988082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).