1-(6-chloropyridazin-3-yl)-N-[3-(cyclopropylcarbamoyl)phenyl]piperidine-4-carboxamide

C20H22ClN5O2 — CID 35367631

IUPAC1-(6-chloropyridazin-3-yl)-N-[3-(cyclopropylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESO=C(NC1CC1)c1cccc(NC(=O)C2CCN(c3ccc(Cl)nn3)CC2)c1
InChIInChI=1S/C20H22ClN5O2/c21-17-6-7-18(25-24-17)26-10-8-13(9-11-26)19(27)23-16-3-1-2-14(12-16)20(28)22-15-4-5-15/h1-3,6-7,12-13,15H,4-5,8-11H2,(H,22,28)(H,23,27)
InChIKeyJYZNVIVKJJQWPQ-UHFFFAOYSA-N
MW399.88 g/mol
LogP2.88
Rot. Bonds5

About 1-(6-chloropyridazin-3-yl)-N-[3-(cyclopropylcarbamoyl)phenyl]piperidine-4-carboxamide

1-(6-chloropyridazin-3-yl)-N-[3-(cyclopropylcarbamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 35367631) has the molecular formula C20H22ClN5O2 and a molecular weight of 399.88 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)-N-[3-(cyclopropylcarbamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-chloropyridazin-3-yl)-N-[3-(cyclopropylcarbamoyl)phenyl]piperidine-4-carboxamide
PubChem CID35367631
Molecular FormulaC20H22ClN5O2
Molecular Weight399.88 g/mol
Exact Mass399.15
IUPAC Name1-(6-chloropyridazin-3-yl)-N-[3-(cyclopropylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESO=C(NC1CC1)c1cccc(NC(=O)C2CCN(c3ccc(Cl)nn3)CC2)c1
InChIInChI=1S/C20H22ClN5O2/c21-17-6-7-18(25-24-17)26-10-8-13(9-11-26)19(27)23-16-3-1-2-14(12-16)20(28)22-15-4-5-15/h1-3,6-7,12-13,15H,4-5,8-11H2,(H,22,28)(H,23,27)
InChIKeyJYZNVIVKJJQWPQ-UHFFFAOYSA-N
XLogP2.88
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide
CID 46568702
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139
1-(6-chloropyridazin-3-yl)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]piperidine-4-carboxamide
CID 35367747
1-(4-chlorophenyl)sulfonyl-N-[3-(cyclopropylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 26993774
N-(4-aminocyclohexyl)-3-(cyclopropanecarbonylamino)benzamide
CID 119477045
3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-N-cyclopropylbenzamide
CID 26110757
methyl 2-[[4-[[1-(6-chloropyridazin-3-yl)piperidine-4-carbonyl]amino]benzoyl]amino]acetate
CID 46587333
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
N-(3,4-dichlorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118877
N-(3-acetylphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30866725
N-(3-chlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947206
N-(1,3-benzothiazol-2-yl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide
CID 39088463

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-3-yl)-N-[3-(cyclopropylcarbamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(6-chloropyridazin-3-yl)-N-[3-(cyclopropylcarbamoyl)phenyl]piperidine-4-carboxamide (CID 35367631) is 1-(6-chloropyridazin-3-yl)-N-[3-(cyclopropylcarbamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-chloropyridazin-3-yl)-N-[3-(cyclopropylcarbamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(6-chloropyridazin-3-yl)-N-[3-(cyclopropylcarbamoyl)phenyl]piperidine-4-carboxamide is O=C(NC1CC1)c1cccc(NC(=O)C2CCN(c3ccc(Cl)nn3)CC2)c1.
What is the InChIKey of 1-(6-chloropyridazin-3-yl)-N-[3-(cyclopropylcarbamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is JYZNVIVKJJQWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O2/c21-17-6-7-18(25-24-17)26-10-8-13(9-11-26)19(27)23-16-3-1-2-14(12-16)20(28)22-15-4-5-15/h1-3,6-7,12-13,15H,4-5,8-11H2,(H,22,28)(H,23,27).
What are the key properties of 1-(6-chloropyridazin-3-yl)-N-[3-(cyclopropylcarbamoyl)phenyl]piperidine-4-carboxamide?
1-(6-chloropyridazin-3-yl)-N-[3-(cyclopropylcarbamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 399.88 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-3-yl)-N-[3-(cyclopropylcarbamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 35367631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).