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

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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).