(3S)-1-(6-chloropyridazin-3-yl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide

C19H22ClN5O2 — CID 51956458

IUPAC(3S)-1-(6-chloropyridazin-3-yl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)c1C
InChIInChI=1S/C19H22ClN5O2/c1-12-14(19(27)21-2)6-3-7-15(12)22-18(26)13-5-4-10-25(11-13)17-9-8-16(20)23-24-17/h3,6-9,13H,4-5,10-11H2,1-2H3,(H,21,27)(H,22,26)/t13-/m0/s1
InChIKeyIMEQMVNPDHAWPQ-ZDUSSCGKSA-N
MW387.87 g/mol
LogP2.65
Rot. Bonds4

About (3S)-1-(6-chloropyridazin-3-yl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide

(3S)-1-(6-chloropyridazin-3-yl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide (PubChem CID 51956458) has the molecular formula C19H22ClN5O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is (3S)-1-(6-chloropyridazin-3-yl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(6-chloropyridazin-3-yl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
PubChem CID51956458
Molecular FormulaC19H22ClN5O2
Molecular Weight387.87 g/mol
Exact Mass387.15
IUPAC Name(3S)-1-(6-chloropyridazin-3-yl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)c1C
InChIInChI=1S/C19H22ClN5O2/c1-12-14(19(27)21-2)6-3-7-15(12)22-18(26)13-5-4-10-25(11-13)17-9-8-16(20)23-24-17/h3,6-9,13H,4-5,10-11H2,1-2H3,(H,21,27)(H,22,26)/t13-/m0/s1
InChIKeyIMEQMVNPDHAWPQ-ZDUSSCGKSA-N
XLogP2.65
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(6-chloropyridazin-3-yl)-N-(1-methylindol-4-yl)piperidine-3-carboxamide
CID 96557312
N-(2,3-dimethylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 71794774
(3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 51983350
N-(3-chloro-2-methylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514810
1-(6-chloropyridazin-3-yl)-N-[1-(2-methoxyethyl)indol-4-yl]piperidine-3-carboxamide
CID 71701084
(3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 51983348
1-(benzenesulfonyl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 46461883
N-(3-chloro-2-methylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide
CID 71795253
N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46461736
1-(6-chloropyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 42959099
(3R)-1-(6-chloropyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 94161179
methyl 2-[[(3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-3-carbonyl]amino]benzoate
CID 94920585

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(6-chloropyridazin-3-yl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(6-chloropyridazin-3-yl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide (CID 51956458) is (3S)-1-(6-chloropyridazin-3-yl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(6-chloropyridazin-3-yl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(6-chloropyridazin-3-yl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide is CNC(=O)c1cccc(NC(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)c1C.
What is the InChIKey of (3S)-1-(6-chloropyridazin-3-yl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide?
The InChIKey is IMEQMVNPDHAWPQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22ClN5O2/c1-12-14(19(27)21-2)6-3-7-15(12)22-18(26)13-5-4-10-25(11-13)17-9-8-16(20)23-24-17/h3,6-9,13H,4-5,10-11H2,1-2H3,(H,21,27)(H,22,26)/t13-/m0/s1.
What are the key properties of (3S)-1-(6-chloropyridazin-3-yl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide?
(3S)-1-(6-chloropyridazin-3-yl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(6-chloropyridazin-3-yl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 51956458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).