4-[5-[(1-pyridazin-3-ylazetidine-3-carbonyl)amino]-2-pyridinyl]piperidine-1-carboxylic acid

C19H22N6O3 — CID 90012703

IUPAC4-[5-[(1-pyridazin-3-ylazetidine-3-carbonyl)amino]-2-pyridinyl]piperidine-1-carboxylic acid
SMILESO=C(Nc1ccc(C2CCN(C(=O)O)CC2)nc1)C1CN(c2cccnn2)C1
InChIInChI=1S/C19H22N6O3/c26-18(14-11-25(12-14)17-2-1-7-21-23-17)22-15-3-4-16(20-10-15)13-5-8-24(9-6-13)19(27)28/h1-4,7,10,13-14H,5-6,8-9,11-12H2,(H,22,26)(H,27,28)
InChIKeyVZIKASLGDQICSD-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.80
Rot. Bonds4

About 4-[5-[(1-pyridazin-3-ylazetidine-3-carbonyl)amino]-2-pyridinyl]piperidine-1-carboxylic acid

4-[5-[(1-pyridazin-3-ylazetidine-3-carbonyl)amino]-2-pyridinyl]piperidine-1-carboxylic acid (PubChem CID 90012703) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-[5-[(1-pyridazin-3-ylazetidine-3-carbonyl)amino]-2-pyridinyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[5-[(1-pyridazin-3-ylazetidine-3-carbonyl)amino]-2-pyridinyl]piperidine-1-carboxylic acid
PubChem CID90012703
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name4-[5-[(1-pyridazin-3-ylazetidine-3-carbonyl)amino]-2-pyridinyl]piperidine-1-carboxylic acid
SMILESO=C(Nc1ccc(C2CCN(C(=O)O)CC2)nc1)C1CN(c2cccnn2)C1
InChIInChI=1S/C19H22N6O3/c26-18(14-11-25(12-14)17-2-1-7-21-23-17)22-15-3-4-16(20-10-15)13-5-8-24(9-6-13)19(27)28/h1-4,7,10,13-14H,5-6,8-9,11-12H2,(H,22,26)(H,27,28)
InChIKeyVZIKASLGDQICSD-UHFFFAOYSA-N
XLogP1.80
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[5-[(1-pyridazin-3-ylazetidine-3-carbonyl)amino]-2-pyridinyl]piperidine-1-carboxylic acid with MolForge

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Related Compounds

1-pyridazin-3-yl-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 110269133
N-[4-(1-but-3-enoylpiperidin-4-yl)phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 140621420
N-[4-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 140621498
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
4-[[6-(4-carbamoyl-2-pyridinyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid
CID 137352642
N-[4-[1-(2-methylbenzoyl)azetidin-3-yl]phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 140621522
(3S)-N-(5-methyl-1H-pyrazol-3-yl)-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 125013785
N-cyclobutyl-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 110269436
tert-butyl 4-[4-[[(3S)-1-pyridazin-3-ylpyrrolidine-3-carbonyl]amino]phenoxy]piperidine-1-carboxylate
CID 86702075
N-methyl-1-pyridazin-3-ylpiperidine-3-carboxamide
CID 110269425

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(1-pyridazin-3-ylazetidine-3-carbonyl)amino]-2-pyridinyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[5-[(1-pyridazin-3-ylazetidine-3-carbonyl)amino]-2-pyridinyl]piperidine-1-carboxylic acid (CID 90012703) is 4-[5-[(1-pyridazin-3-ylazetidine-3-carbonyl)amino]-2-pyridinyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[5-[(1-pyridazin-3-ylazetidine-3-carbonyl)amino]-2-pyridinyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[5-[(1-pyridazin-3-ylazetidine-3-carbonyl)amino]-2-pyridinyl]piperidine-1-carboxylic acid is O=C(Nc1ccc(C2CCN(C(=O)O)CC2)nc1)C1CN(c2cccnn2)C1.
What is the InChIKey of 4-[5-[(1-pyridazin-3-ylazetidine-3-carbonyl)amino]-2-pyridinyl]piperidine-1-carboxylic acid?
The InChIKey is VZIKASLGDQICSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c26-18(14-11-25(12-14)17-2-1-7-21-23-17)22-15-3-4-16(20-10-15)13-5-8-24(9-6-13)19(27)28/h1-4,7,10,13-14H,5-6,8-9,11-12H2,(H,22,26)(H,27,28).
What are the key properties of 4-[5-[(1-pyridazin-3-ylazetidine-3-carbonyl)amino]-2-pyridinyl]piperidine-1-carboxylic acid?
4-[5-[(1-pyridazin-3-ylazetidine-3-carbonyl)amino]-2-pyridinyl]piperidine-1-carboxylic acid has a molecular weight of 382.42 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(1-pyridazin-3-ylazetidine-3-carbonyl)amino]-2-pyridinyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 90012703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).