N-methyl-2-pyrazol-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridine-3-carboxamide

C19H21N7O — CID 126780099

IUPACN-methyl-2-pyrazol-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridine-3-carboxamide
SMILESCN(C(=O)c1cccnc1-n1cccn1)C1CCCN(c2cccnn2)C1
InChIInChI=1S/C19H21N7O/c1-24(15-6-4-12-25(14-15)17-8-3-10-21-23-17)19(27)16-7-2-9-20-18(16)26-13-5-11-22-26/h2-3,5,7-11,13,15H,4,6,12,14H2,1H3
InChIKeyPRXTZNFCQCBKNQ-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.80
Rot. Bonds4

About N-methyl-2-pyrazol-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridine-3-carboxamide

N-methyl-2-pyrazol-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridine-3-carboxamide (PubChem CID 126780099) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is N-methyl-2-pyrazol-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-pyrazol-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridine-3-carboxamide
PubChem CID126780099
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC NameN-methyl-2-pyrazol-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridine-3-carboxamide
SMILESCN(C(=O)c1cccnc1-n1cccn1)C1CCCN(c2cccnn2)C1
InChIInChI=1S/C19H21N7O/c1-24(15-6-4-12-25(14-15)17-8-3-10-21-23-17)19(27)16-7-2-9-20-18(16)26-13-5-11-22-26/h2-3,5,7-11,13,15H,4,6,12,14H2,1H3
InChIKeyPRXTZNFCQCBKNQ-UHFFFAOYSA-N
XLogP1.80
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 119879707
3-amino-N,2-dimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide
CID 120503791
(2S)-2-amino-N,3,3-trimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide
CID 119879672
N-(cyclopropylmethyl)-N-methyl-2-pyrazol-1-ylpyridine-3-carboxamide
CID 75461699
3-(2-aminophenyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide
CID 120613030
2-methoxy-N-methyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyridine-3-carboxamide
CID 125014728
2-methoxy-N-methyl-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyridine-3-carboxamide
CID 125014729
(3R)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-pyridazin-3-ylpiperidin-3-amine
CID 95336321
2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 84576935
N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)morpholine-2-carboxamide;dihydrochloride
CID 119879699
4-methoxy-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride
CID 119879691
3-[(3,4-dimethylphenyl)methyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea
CID 174344195

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyrazol-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridine-3-carboxamide?
The IUPAC name of N-methyl-2-pyrazol-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridine-3-carboxamide (CID 126780099) is N-methyl-2-pyrazol-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-2-pyrazol-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridine-3-carboxamide?
The canonical SMILES for N-methyl-2-pyrazol-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridine-3-carboxamide is CN(C(=O)c1cccnc1-n1cccn1)C1CCCN(c2cccnn2)C1.
What is the InChIKey of N-methyl-2-pyrazol-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridine-3-carboxamide?
The InChIKey is PRXTZNFCQCBKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-24(15-6-4-12-25(14-15)17-8-3-10-21-23-17)19(27)16-7-2-9-20-18(16)26-13-5-11-22-26/h2-3,5,7-11,13,15H,4,6,12,14H2,1H3.
What are the key properties of N-methyl-2-pyrazol-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridine-3-carboxamide?
N-methyl-2-pyrazol-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridine-3-carboxamide has a molecular weight of 363.43 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyrazol-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 126780099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).