6-(5-chloro-3-pyridinyl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]naphthalene-2-carboxamide

C23H21ClN4O — CID 175641447

IUPAC6-(5-chloro-3-pyridinyl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]naphthalene-2-carboxamide
SMILESCCN(Cc1nccn1C)C(=O)c1ccc2cc(-c3cncc(Cl)c3)ccc2c1
InChIInChI=1S/C23H21ClN4O/c1-3-28(15-22-26-8-9-27(22)2)23(29)19-7-6-16-10-18(5-4-17(16)11-19)20-12-21(24)14-25-13-20/h4-14H,3,15H2,1-2H3
InChIKeySHHSSYBXYHYGTB-UHFFFAOYSA-N
MW404.90 g/mol
LogP4.95
Rot. Bonds5

About 6-(5-chloro-3-pyridinyl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]naphthalene-2-carboxamide

6-(5-chloro-3-pyridinyl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]naphthalene-2-carboxamide (PubChem CID 175641447) has the molecular formula C23H21ClN4O and a molecular weight of 404.90 g/mol. Its IUPAC name is 6-(5-chloro-3-pyridinyl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-(5-chloro-3-pyridinyl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]naphthalene-2-carboxamide
PubChem CID175641447
Molecular FormulaC23H21ClN4O
Molecular Weight404.90 g/mol
Exact Mass404.14
IUPAC Name6-(5-chloro-3-pyridinyl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]naphthalene-2-carboxamide
SMILESCCN(Cc1nccn1C)C(=O)c1ccc2cc(-c3cncc(Cl)c3)ccc2c1
InChIInChI=1S/C23H21ClN4O/c1-3-28(15-22-26-8-9-27(22)2)23(29)19-7-6-16-10-18(5-4-17(16)11-19)20-12-21(24)14-25-13-20/h4-14H,3,15H2,1-2H3
InChIKeySHHSSYBXYHYGTB-UHFFFAOYSA-N
XLogP4.95
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(5-chloro-3-pyridinyl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]naphthalene-2-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

6-(azepan-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 42596308
2-[ethyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]thieno[2,3-b]thiophene-5-carboxylic acid
CID 146145510
6-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 45175764
N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)quinoline-6-carboxamide
CID 42793535
4-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 81226426
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-5-carboxamide
CID 63718786
N-benzyl-N-[(1-methylimidazol-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 42782261
N-[(1-methylimidazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)-1,3-benzothiazole-6-carboxamide
CID 42784656
N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide
CID 74239085
N-ethyl-4-fluoro-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]benzamide
CID 42819344
N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 74234797
4-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-nitrobenzamide
CID 60666102

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-3-pyridinyl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]naphthalene-2-carboxamide?
The IUPAC name of 6-(5-chloro-3-pyridinyl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]naphthalene-2-carboxamide (CID 175641447) is 6-(5-chloro-3-pyridinyl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]naphthalene-2-carboxamide.
What is the SMILES notation for 6-(5-chloro-3-pyridinyl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]naphthalene-2-carboxamide?
The canonical SMILES for 6-(5-chloro-3-pyridinyl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]naphthalene-2-carboxamide is CCN(Cc1nccn1C)C(=O)c1ccc2cc(-c3cncc(Cl)c3)ccc2c1.
What is the InChIKey of 6-(5-chloro-3-pyridinyl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]naphthalene-2-carboxamide?
The InChIKey is SHHSSYBXYHYGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O/c1-3-28(15-22-26-8-9-27(22)2)23(29)19-7-6-16-10-18(5-4-17(16)11-19)20-12-21(24)14-25-13-20/h4-14H,3,15H2,1-2H3.
What are the key properties of 6-(5-chloro-3-pyridinyl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]naphthalene-2-carboxamide?
6-(5-chloro-3-pyridinyl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]naphthalene-2-carboxamide has a molecular weight of 404.90 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-3-pyridinyl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 175641447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).