N-(6-chloropyridazin-3-yl)-4-(naphthalen-2-ylmethyl)piperidine-1-carboxamide

C21H21ClN4O — CID 25132060

IUPACN-(6-chloropyridazin-3-yl)-4-(naphthalen-2-ylmethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)nn1)N1CCC(Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H21ClN4O/c22-19-7-8-20(25-24-19)23-21(27)26-11-9-15(10-12-26)13-16-5-6-17-3-1-2-4-18(17)14-16/h1-8,14-15H,9-13H2,(H,23,25,27)
InChIKeyOYCMXVMZNQFVIM-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.77
Rot. Bonds3

About N-(6-chloropyridazin-3-yl)-4-(naphthalen-2-ylmethyl)piperidine-1-carboxamide

N-(6-chloropyridazin-3-yl)-4-(naphthalen-2-ylmethyl)piperidine-1-carboxamide (PubChem CID 25132060) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is N-(6-chloropyridazin-3-yl)-4-(naphthalen-2-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-3-yl)-4-(naphthalen-2-ylmethyl)piperidine-1-carboxamide
PubChem CID25132060
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC NameN-(6-chloropyridazin-3-yl)-4-(naphthalen-2-ylmethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)nn1)N1CCC(Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H21ClN4O/c22-19-7-8-20(25-24-19)23-21(27)26-11-9-15(10-12-26)13-16-5-6-17-3-1-2-4-18(17)14-16/h1-8,14-15H,9-13H2,(H,23,25,27)
InChIKeyOYCMXVMZNQFVIM-UHFFFAOYSA-N
XLogP4.77
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cinnolin-3-yl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 126834193
2-(cyclopropylmethyl)naphthalene
CID 19063908
4-benzyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide
CID 108887249
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
N-(4-chloro-1,2-oxazol-3-yl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide
CID 46234787
4-[(2-naphthalen-2-ylacetyl)amino]-N-phenylpiperidine-1-carboxamide
CID 51324367
4-[[(6-chloropyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid
CID 91243111
N-(4-methylphenyl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide
CID 158349781
3-[(1-methylpyrazol-4-yl)methyl]-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 71865708
4-[(6-fluoronaphthalen-2-yl)methyl]piperidine-1-carboxylic acid
CID 118164700
3-[(dimethylamino)methyl]-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide
CID 91661425
(3S)-3-[(dimethylamino)methyl]-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide
CID 99626273

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-3-yl)-4-(naphthalen-2-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-(6-chloropyridazin-3-yl)-4-(naphthalen-2-ylmethyl)piperidine-1-carboxamide (CID 25132060) is N-(6-chloropyridazin-3-yl)-4-(naphthalen-2-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(6-chloropyridazin-3-yl)-4-(naphthalen-2-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(6-chloropyridazin-3-yl)-4-(naphthalen-2-ylmethyl)piperidine-1-carboxamide is O=C(Nc1ccc(Cl)nn1)N1CCC(Cc2ccc3ccccc3c2)CC1.
What is the InChIKey of N-(6-chloropyridazin-3-yl)-4-(naphthalen-2-ylmethyl)piperidine-1-carboxamide?
The InChIKey is OYCMXVMZNQFVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c22-19-7-8-20(25-24-19)23-21(27)26-11-9-15(10-12-26)13-16-5-6-17-3-1-2-4-18(17)14-16/h1-8,14-15H,9-13H2,(H,23,25,27).
What are the key properties of N-(6-chloropyridazin-3-yl)-4-(naphthalen-2-ylmethyl)piperidine-1-carboxamide?
N-(6-chloropyridazin-3-yl)-4-(naphthalen-2-ylmethyl)piperidine-1-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyridazin-3-yl)-4-(naphthalen-2-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 25132060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).