N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[(2E)-penta-2,4-dienoyl]amino]benzamide

C18H16ClN3O3 — CID 142083271

IUPACN-(5-chloro-2-pyridinyl)-5-methoxy-2-[[(2E)-penta-2,4-dienoyl]amino]benzamide
SMILESC=C/C=C/C(=O)Nc1ccc(OC)cc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C18H16ClN3O3/c1-3-4-5-17(23)21-15-8-7-13(25-2)10-14(15)18(24)22-16-9-6-12(19)11-20-16/h3-11H,1H2,2H3,(H,21,23)(H,20,22,24)/b5-4+
InChIKeyWQMWDYSFLYZHFG-SNAWJCMRSA-N
MW357.80 g/mol
LogP3.68
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[(2E)-penta-2,4-dienoyl]amino]benzamide

N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[(2E)-penta-2,4-dienoyl]amino]benzamide (PubChem CID 142083271) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[(2E)-penta-2,4-dienoyl]amino]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-5-methoxy-2-[[(2E)-penta-2,4-dienoyl]amino]benzamide
PubChem CID142083271
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC NameN-(5-chloro-2-pyridinyl)-5-methoxy-2-[[(2E)-penta-2,4-dienoyl]amino]benzamide
SMILESC=C/C=C/C(=O)Nc1ccc(OC)cc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C18H16ClN3O3/c1-3-4-5-17(23)21-15-8-7-13(25-2)10-14(15)18(24)22-16-9-6-12(19)11-20-16/h3-11H,1H2,2H3,(H,21,23)(H,20,22,24)/b5-4+
InChIKeyWQMWDYSFLYZHFG-SNAWJCMRSA-N
XLogP3.68
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 143758587
N-(5-chloro-2-pyridinyl)-2-[[2-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidine-4-carbonyl)benzoyl]amino]-5-methoxybenzamide
CID 165367029
N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide
CID 22596384
2-[(5-chloropyridine-2-carbonyl)amino]-5-methoxybenzoic acid
CID 115410990
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide
CID 18727958
but-3-enimidamide;N-(5-chloro-2-pyridinyl)-5-hydroxy-2-[[(E)-pent-2-enoyl]amino]benzamide;ethane
CID 142083466
N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[4-[N-(2-methoxyacetyl)-S-methylsulfonimidoyl]benzoyl]amino]benzamide
CID 25268457
2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[(E)-2-methylpent-2-enoyl]amino]phenoxy]acetic acid
CID 142083403
5-chloro-N-(5-chloro-2-pyridinyl)-2-hydrazinylbenzamide
CID 55051225
N-(5-chloro-2-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 949027
N-(5-chloro-2-pyridinyl)-4-(4-methoxyphenoxy)butanamide
CID 34134941
N-(5-chloro-2-pyridinyl)-3-methoxy-4-methylbenzamide
CID 47122719

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[(2E)-penta-2,4-dienoyl]amino]benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[(2E)-penta-2,4-dienoyl]amino]benzamide (CID 142083271) is N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[(2E)-penta-2,4-dienoyl]amino]benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[(2E)-penta-2,4-dienoyl]amino]benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[(2E)-penta-2,4-dienoyl]amino]benzamide is C=C/C=C/C(=O)Nc1ccc(OC)cc1C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[(2E)-penta-2,4-dienoyl]amino]benzamide?
The InChIKey is WQMWDYSFLYZHFG-SNAWJCMRSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-3-4-5-17(23)21-15-8-7-13(25-2)10-14(15)18(24)22-16-9-6-12(19)11-20-16/h3-11H,1H2,2H3,(H,21,23)(H,20,22,24)/b5-4+.
What are the key properties of N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[(2E)-penta-2,4-dienoyl]amino]benzamide?
N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[(2E)-penta-2,4-dienoyl]amino]benzamide has a molecular weight of 357.80 g/mol, XLogP of 3.68, 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)-5-methoxy-2-[[(2E)-penta-2,4-dienoyl]amino]benzamide is sourced from PubChem (CID 142083271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).