N-(5-chloro-2-pyridinyl)-2-(2-methylpent-2-enoylamino)benzamide

C18H18ClN3O2 — CID 72687525

IUPACN-(5-chloro-2-pyridinyl)-2-(2-methylpent-2-enoylamino)benzamide
SMILESCCC=C(C)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C18H18ClN3O2/c1-3-6-12(2)17(23)21-15-8-5-4-7-14(15)18(24)22-16-10-9-13(19)11-20-16/h4-11H,3H2,1-2H3,(H,21,23)(H,20,22,24)
InChIKeyMUFPNRBMQKZQRS-UHFFFAOYSA-N
MW343.81 g/mol
LogP4.28
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-2-(2-methylpent-2-enoylamino)benzamide

N-(5-chloro-2-pyridinyl)-2-(2-methylpent-2-enoylamino)benzamide (PubChem CID 72687525) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-(2-methylpent-2-enoylamino)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-(2-methylpent-2-enoylamino)benzamide
PubChem CID72687525
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC NameN-(5-chloro-2-pyridinyl)-2-(2-methylpent-2-enoylamino)benzamide
SMILESCCC=C(C)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C18H18ClN3O2/c1-3-6-12(2)17(23)21-15-8-5-4-7-14(15)18(24)22-16-10-9-13(19)11-20-16/h4-11H,3H2,1-2H3,(H,21,23)(H,20,22,24)
InChIKeyMUFPNRBMQKZQRS-UHFFFAOYSA-N
XLogP4.28
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-chloro-2-pyridinyl)-2-(2-methylpent-2-enoylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[(E)-2-methylpent-2-enoyl]amino]phenoxy]acetic acid
CID 142083403
N-(5-chloro-2-pyridinyl)-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide
CID 59089747
N-(5-chloro-2-pyridinyl)-2-[[(2S)-2-ethoxypropanoyl]amino]benzamide
CID 95161224
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-5-ethylfuran-2-carboxamide
CID 52867425
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009
N-(5-chloro-2-pyridinyl)-2-[(4-methylphenyl)methylamino]benzamide
CID 142082926
4-acetyl-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 60602716
2-(3-bromopropyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-propan-2-ylbenzamide
CID 68530719
2-acetamido-N-(5-bromo-2-pyridinyl)benzamide
CID 166872715
N-(5-chloro-2-pyridinyl)-2-fluorobenzamide;hydrochloride
CID 163325720
2-N-(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 131737247
N-(5-chloro-2-pyridinyl)-2-hydroxy-3-methoxybenzamide
CID 28831584

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-(2-methylpent-2-enoylamino)benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-(2-methylpent-2-enoylamino)benzamide (CID 72687525) is N-(5-chloro-2-pyridinyl)-2-(2-methylpent-2-enoylamino)benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-(2-methylpent-2-enoylamino)benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-(2-methylpent-2-enoylamino)benzamide is CCC=C(C)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-(2-methylpent-2-enoylamino)benzamide?
The InChIKey is MUFPNRBMQKZQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-3-6-12(2)17(23)21-15-8-5-4-7-14(15)18(24)22-16-10-9-13(19)11-20-16/h4-11H,3H2,1-2H3,(H,21,23)(H,20,22,24).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-(2-methylpent-2-enoylamino)benzamide?
N-(5-chloro-2-pyridinyl)-2-(2-methylpent-2-enoylamino)benzamide has a molecular weight of 343.81 g/mol, XLogP of 4.28, 5 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)-2-(2-methylpent-2-enoylamino)benzamide is sourced from PubChem (CID 72687525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).