N-[2-[(3,6-dichloro-2-methoxybenzoyl)amino]ethyl]pyridine-4-carboxamide

C16H15Cl2N3O3 — CID 108574475

IUPACN-[2-[(3,6-dichloro-2-methoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)NCCNC(=O)c1ccncc1
InChIInChI=1S/C16H15Cl2N3O3/c1-24-14-12(18)3-2-11(17)13(14)16(23)21-9-8-20-15(22)10-4-6-19-7-5-10/h2-7H,8-9H2,1H3,(H,20,22)(H,21,23)
InChIKeyTWNBDDSUTBQKHD-UHFFFAOYSA-N
MW368.22 g/mol
LogP2.56
Rot. Bonds6

About N-[2-[(3,6-dichloro-2-methoxybenzoyl)amino]ethyl]pyridine-4-carboxamide

N-[2-[(3,6-dichloro-2-methoxybenzoyl)amino]ethyl]pyridine-4-carboxamide (PubChem CID 108574475) has the molecular formula C16H15Cl2N3O3 and a molecular weight of 368.22 g/mol. Its IUPAC name is N-[2-[(3,6-dichloro-2-methoxybenzoyl)amino]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(3,6-dichloro-2-methoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
PubChem CID108574475
Molecular FormulaC16H15Cl2N3O3
Molecular Weight368.22 g/mol
Exact Mass367.05
IUPAC NameN-[2-[(3,6-dichloro-2-methoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)NCCNC(=O)c1ccncc1
InChIInChI=1S/C16H15Cl2N3O3/c1-24-14-12(18)3-2-11(17)13(14)16(23)21-9-8-20-15(22)10-4-6-19-7-5-10/h2-7H,8-9H2,1H3,(H,20,22)(H,21,23)
InChIKeyTWNBDDSUTBQKHD-UHFFFAOYSA-N
XLogP2.56
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[(3,6-dichloro-2-methoxybenzoyl)amino]ethyl]pyridine-4-carboxamide 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

3,6-dichloro-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-2-methoxybenzamide
CID 108574925
3,6-dichloro-2-methoxy-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573757
3,6-dichloro-N-(4-imidazol-1-ylbutyl)-2-methoxybenzamide
CID 110443039
3,6-dichloro-N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxybenzamide
CID 108572251
3,6-dichloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2-methoxybenzamide
CID 108573308
[[amino(pyridin-4-yl)methylidene]amino] 3,6-dichloro-2-methoxybenzoate
CID 175558026
N-[2-(2-chloro-4-methoxyphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110789764
3,6-dichloro-2-methoxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110397918
N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 110788799
N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 27173434
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108540562
3,6-dichloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxybenzamide
CID 110443047

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,6-dichloro-2-methoxybenzoyl)amino]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[(3,6-dichloro-2-methoxybenzoyl)amino]ethyl]pyridine-4-carboxamide (CID 108574475) is N-[2-[(3,6-dichloro-2-methoxybenzoyl)amino]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[(3,6-dichloro-2-methoxybenzoyl)amino]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[(3,6-dichloro-2-methoxybenzoyl)amino]ethyl]pyridine-4-carboxamide is COc1c(Cl)ccc(Cl)c1C(=O)NCCNC(=O)c1ccncc1.
What is the InChIKey of N-[2-[(3,6-dichloro-2-methoxybenzoyl)amino]ethyl]pyridine-4-carboxamide?
The InChIKey is TWNBDDSUTBQKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O3/c1-24-14-12(18)3-2-11(17)13(14)16(23)21-9-8-20-15(22)10-4-6-19-7-5-10/h2-7H,8-9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[(3,6-dichloro-2-methoxybenzoyl)amino]ethyl]pyridine-4-carboxamide?
N-[2-[(3,6-dichloro-2-methoxybenzoyl)amino]ethyl]pyridine-4-carboxamide has a molecular weight of 368.22 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,6-dichloro-2-methoxybenzoyl)amino]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 108574475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).