1-pyridazin-3-yl-N-pyridin-3-ylpyrrolidine-3-carboxamide

C14H15N5O — CID 110269133

IUPAC1-pyridazin-3-yl-N-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1cccnc1)C1CCN(c2cccnn2)C1
InChIInChI=1S/C14H15N5O/c20-14(17-12-3-1-6-15-9-12)11-5-8-19(10-11)13-4-2-7-16-18-13/h1-4,6-7,9,11H,5,8,10H2,(H,17,20)
InChIKeyHYDJUNXMNFHOPZ-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.34
Rot. Bonds3

About 1-pyridazin-3-yl-N-pyridin-3-ylpyrrolidine-3-carboxamide

1-pyridazin-3-yl-N-pyridin-3-ylpyrrolidine-3-carboxamide (PubChem CID 110269133) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 1-pyridazin-3-yl-N-pyridin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-pyridazin-3-yl-N-pyridin-3-ylpyrrolidine-3-carboxamide
PubChem CID110269133
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name1-pyridazin-3-yl-N-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1cccnc1)C1CCN(c2cccnn2)C1
InChIInChI=1S/C14H15N5O/c20-14(17-12-3-1-6-15-9-12)11-5-8-19(10-11)13-4-2-7-16-18-13/h1-4,6-7,9,11H,5,8,10H2,(H,17,20)
InChIKeyHYDJUNXMNFHOPZ-UHFFFAOYSA-N
XLogP1.34
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclobutyl-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 110269436
(3S)-N-(5-methyl-1H-pyrazol-3-yl)-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 125013785
N-methyl-1-pyridazin-3-ylpiperidine-3-carboxamide
CID 110269425
N-[4-[1-(2-methylbenzoyl)azetidin-3-yl]phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 140621522
N-[4-(1-but-3-enoylpiperidin-4-yl)phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 140621420
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 90514232
4-[5-[(1-pyridazin-3-ylazetidine-3-carbonyl)amino]-2-pyridinyl]piperidine-1-carboxylic acid
CID 90012703
N-[4-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 140621498
tert-butyl 4-[4-[[(3S)-1-pyridazin-3-ylpyrrolidine-3-carbonyl]amino]phenoxy]piperidine-1-carboxylate
CID 86702075
1-pyridazin-3-yl-N-[4-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]phenyl]pyrrolidine-3-carboxamide
CID 90012344
N-[4-[1-(3-chlorobenzoyl)piperidin-4-yl]phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 140621530
N-[4-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 140621401

Frequently Asked Questions

What is the IUPAC name of 1-pyridazin-3-yl-N-pyridin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-pyridazin-3-yl-N-pyridin-3-ylpyrrolidine-3-carboxamide (CID 110269133) is 1-pyridazin-3-yl-N-pyridin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-pyridazin-3-yl-N-pyridin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-pyridazin-3-yl-N-pyridin-3-ylpyrrolidine-3-carboxamide is O=C(Nc1cccnc1)C1CCN(c2cccnn2)C1.
What is the InChIKey of 1-pyridazin-3-yl-N-pyridin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is HYDJUNXMNFHOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c20-14(17-12-3-1-6-15-9-12)11-5-8-19(10-11)13-4-2-7-16-18-13/h1-4,6-7,9,11H,5,8,10H2,(H,17,20).
What are the key properties of 1-pyridazin-3-yl-N-pyridin-3-ylpyrrolidine-3-carboxamide?
1-pyridazin-3-yl-N-pyridin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 269.31 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridazin-3-yl-N-pyridin-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110269133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).