N-propan-2-yl-2-pyridazin-4-ylpyridine-4-carboxamide

C13H14N4O — CID 155914034

IUPACN-propan-2-yl-2-pyridazin-4-ylpyridine-4-carboxamide
SMILESCC(C)NC(=O)c1ccnc(-c2ccnnc2)c1
InChIInChI=1S/C13H14N4O/c1-9(2)17-13(18)10-3-5-14-12(7-10)11-4-6-15-16-8-11/h3-9H,1-2H3,(H,17,18)
InChIKeyNZKPTIWPKOHQPM-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.68
Rot. Bonds3

About N-propan-2-yl-2-pyridazin-4-ylpyridine-4-carboxamide

N-propan-2-yl-2-pyridazin-4-ylpyridine-4-carboxamide (PubChem CID 155914034) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is N-propan-2-yl-2-pyridazin-4-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-2-pyridazin-4-ylpyridine-4-carboxamide
PubChem CID155914034
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC NameN-propan-2-yl-2-pyridazin-4-ylpyridine-4-carboxamide
SMILESCC(C)NC(=O)c1ccnc(-c2ccnnc2)c1
InChIInChI=1S/C13H14N4O/c1-9(2)17-13(18)10-3-5-14-12(7-10)11-4-6-15-16-8-11/h3-9H,1-2H3,(H,17,18)
InChIKeyNZKPTIWPKOHQPM-UHFFFAOYSA-N
XLogP1.68
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-ylpyridazine-4-carboxamide
CID 115736010
2-(3-fluoro-5-methylphenyl)-N-propan-2-ylpyridine-4-carboxamide
CID 77078874
2-N,4-N-di(propan-2-yl)pyridine-2,4-dicarboxamide
CID 109078008
2-(3-fluoro-4-pyridinyl)-N-propan-2-ylpyridine-4-carboxamide
CID 74244345
N-[(1S)-1-cyclohexylethyl]-2-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-pyridinyl]pyridine-4-carboxamide
CID 132516828
2-cyano-N-propan-2-ylpyridine-4-carboxamide
CID 112520008
2-[[2-[4-(dicarboxymethylcarbamoyl)-2-pyridinyl]pyridine-4-carbonyl]amino]propanedioic acid
CID 102472215
2-[3-[(1,1,1-trifluoro-3-methylbutan-2-yl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 156608630
2-N-(3,5-dichlorophenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078190
2-N-(3,5-dimethylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078108
2-N-(4-methylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078101
N-propan-2-yl-4-pyridin-2-ylbenzamide
CID 59672619

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-pyridazin-4-ylpyridine-4-carboxamide?
The IUPAC name of N-propan-2-yl-2-pyridazin-4-ylpyridine-4-carboxamide (CID 155914034) is N-propan-2-yl-2-pyridazin-4-ylpyridine-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-2-pyridazin-4-ylpyridine-4-carboxamide?
The canonical SMILES for N-propan-2-yl-2-pyridazin-4-ylpyridine-4-carboxamide is CC(C)NC(=O)c1ccnc(-c2ccnnc2)c1.
What is the InChIKey of N-propan-2-yl-2-pyridazin-4-ylpyridine-4-carboxamide?
The InChIKey is NZKPTIWPKOHQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-9(2)17-13(18)10-3-5-14-12(7-10)11-4-6-15-16-8-11/h3-9H,1-2H3,(H,17,18).
What are the key properties of N-propan-2-yl-2-pyridazin-4-ylpyridine-4-carboxamide?
N-propan-2-yl-2-pyridazin-4-ylpyridine-4-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-pyridazin-4-ylpyridine-4-carboxamide is sourced from PubChem (CID 155914034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).