N-cyclopropyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide

C13H18N4O2 — CID 53203801

IUPACN-cyclopropyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C13H18N4O2/c18-12-6-11(7-14-16-12)17-5-1-2-9(8-17)13(19)15-10-3-4-10/h6-7,9-10H,1-5,8H2,(H,15,19)(H,16,18)
InChIKeySINMHDITBDGXMT-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.26
Rot. Bonds3

About N-cyclopropyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide

N-cyclopropyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide (PubChem CID 53203801) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-cyclopropyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
PubChem CID53203801
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-cyclopropyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C13H18N4O2/c18-12-6-11(7-14-16-12)17-5-1-2-9(8-17)13(19)15-10-3-4-10/h6-7,9-10H,1-5,8H2,(H,15,19)(H,16,18)
InChIKeySINMHDITBDGXMT-UHFFFAOYSA-N
XLogP0.26
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(1-benzylpiperidin-4-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115278
(3R)-N-(2-methoxyethyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115370
N-(2-methoxyethyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 53203819
(3S)-N-(3,4-dimethylphenyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115303
(3R)-N-(4-methylcyclohexyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 95115576
(3S)-N-[(2-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115413
(3R)-N-[(2-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115412
ethyl 1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxylate
CID 91654996
N-[(3-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 53203871
(3S)-N-(2-methoxy-5-methylphenyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115313
4-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 53203838
(3R)-N-[[4-(diethylamino)phenyl]methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115454

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide (CID 53203801) is N-cyclopropyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide is O=C(NC1CC1)C1CCCN(c2cn[nH]c(=O)c2)C1.
What is the InChIKey of N-cyclopropyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
The InChIKey is SINMHDITBDGXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-12-6-11(7-14-16-12)17-5-1-2-9(8-17)13(19)15-10-3-4-10/h6-7,9-10H,1-5,8H2,(H,15,19)(H,16,18).
What are the key properties of N-cyclopropyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
N-cyclopropyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53203801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).