(2S)-2-(2-cyclohexylethyl)-N-(3-methylpyridazin-4-yl)pyrrolidine-1-carboxamide

C18H28N4O — CID 164642676

IUPAC(2S)-2-(2-cyclohexylethyl)-N-(3-methylpyridazin-4-yl)pyrrolidine-1-carboxamide
SMILESCc1nnccc1NC(=O)N1CCC[C@@H]1CCC1CCCCC1
InChIInChI=1S/C18H28N4O/c1-14-17(11-12-19-21-14)20-18(23)22-13-5-8-16(22)10-9-15-6-3-2-4-7-15/h11-12,15-16H,2-10,13H2,1H3,(H,19,20,23)/t16-/m1/s1
InChIKeyACGPJFBOFXYXME-MRXNPFEDSA-N
MW316.45 g/mol
LogP4.14
Rot. Bonds4

About (2S)-2-(2-cyclohexylethyl)-N-(3-methylpyridazin-4-yl)pyrrolidine-1-carboxamide

(2S)-2-(2-cyclohexylethyl)-N-(3-methylpyridazin-4-yl)pyrrolidine-1-carboxamide (PubChem CID 164642676) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is (2S)-2-(2-cyclohexylethyl)-N-(3-methylpyridazin-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(2-cyclohexylethyl)-N-(3-methylpyridazin-4-yl)pyrrolidine-1-carboxamide
PubChem CID164642676
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name(2S)-2-(2-cyclohexylethyl)-N-(3-methylpyridazin-4-yl)pyrrolidine-1-carboxamide
SMILESCc1nnccc1NC(=O)N1CCC[C@@H]1CCC1CCCCC1
InChIInChI=1S/C18H28N4O/c1-14-17(11-12-19-21-14)20-18(23)22-13-5-8-16(22)10-9-15-6-3-2-4-7-15/h11-12,15-16H,2-10,13H2,1H3,(H,19,20,23)/t16-/m1/s1
InChIKeyACGPJFBOFXYXME-MRXNPFEDSA-N
XLogP4.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(4-methylpiperazino)phenyl]-N-phenyl-1H-pyrazole-1-carboxamide
CID 4264966
N-[2-(3-phenylpyrazol-1-yl)propyl]piperidine-1-carboxamide
CID 118514522
N-[1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 118514528
N-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide
CID 118524339
N-[2-[3-(3-fluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155518732
N-[2-[3-(2-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155527416
N-[2-[3-(3-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155529255
N-[2-[3-(2-fluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155537511
N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155545623
N-[2-[3-(2,4-difluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155552451
N-[2-[3-(3,4-difluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155567758
1,1-Diethyl-3-[2-(3-phenylpyrazol-1-yl)ethyl]urea
CID 155521177

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-cyclohexylethyl)-N-(3-methylpyridazin-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(2-cyclohexylethyl)-N-(3-methylpyridazin-4-yl)pyrrolidine-1-carboxamide (CID 164642676) is (2S)-2-(2-cyclohexylethyl)-N-(3-methylpyridazin-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(2-cyclohexylethyl)-N-(3-methylpyridazin-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(2-cyclohexylethyl)-N-(3-methylpyridazin-4-yl)pyrrolidine-1-carboxamide is Cc1nnccc1NC(=O)N1CCC[C@@H]1CCC1CCCCC1.
What is the InChIKey of (2S)-2-(2-cyclohexylethyl)-N-(3-methylpyridazin-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is ACGPJFBOFXYXME-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H28N4O/c1-14-17(11-12-19-21-14)20-18(23)22-13-5-8-16(22)10-9-15-6-3-2-4-7-15/h11-12,15-16H,2-10,13H2,1H3,(H,19,20,23)/t16-/m1/s1.
What are the key properties of (2S)-2-(2-cyclohexylethyl)-N-(3-methylpyridazin-4-yl)pyrrolidine-1-carboxamide?
(2S)-2-(2-cyclohexylethyl)-N-(3-methylpyridazin-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-cyclohexylethyl)-N-(3-methylpyridazin-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 164642676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).