3-chloro-N-(6-oxo-1H-pyridazin-3-yl)-6-(propylamino)pyridine-2-carboxamide

C13H14ClN5O2 — CID 116788007

IUPAC3-chloro-N-(6-oxo-1H-pyridazin-3-yl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(Cl)c(C(=O)Nc2ccc(=O)[nH]n2)n1
InChIInChI=1S/C13H14ClN5O2/c1-2-7-15-9-4-3-8(14)12(16-9)13(21)17-10-5-6-11(20)19-18-10/h3-6H,2,7H2,1H3,(H,15,16)(H,19,20)(H,17,18,21)
InChIKeyRIHBHZBGBCQIAS-UHFFFAOYSA-N
MW307.74 g/mol
LogP1.89
Rot. Bonds5

About 3-chloro-N-(6-oxo-1H-pyridazin-3-yl)-6-(propylamino)pyridine-2-carboxamide

3-chloro-N-(6-oxo-1H-pyridazin-3-yl)-6-(propylamino)pyridine-2-carboxamide (PubChem CID 116788007) has the molecular formula C13H14ClN5O2 and a molecular weight of 307.74 g/mol. Its IUPAC name is 3-chloro-N-(6-oxo-1H-pyridazin-3-yl)-6-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(6-oxo-1H-pyridazin-3-yl)-6-(propylamino)pyridine-2-carboxamide
PubChem CID116788007
Molecular FormulaC13H14ClN5O2
Molecular Weight307.74 g/mol
Exact Mass307.08
IUPAC Name3-chloro-N-(6-oxo-1H-pyridazin-3-yl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(Cl)c(C(=O)Nc2ccc(=O)[nH]n2)n1
InChIInChI=1S/C13H14ClN5O2/c1-2-7-15-9-4-3-8(14)12(16-9)13(21)17-10-5-6-11(20)19-18-10/h3-6H,2,7H2,1H3,(H,15,16)(H,19,20)(H,17,18,21)
InChIKeyRIHBHZBGBCQIAS-UHFFFAOYSA-N
XLogP1.89
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(2,2-dimethylpropyl)-6-(propylamino)pyridine-2-carboxamide
CID 55046891
3-chloro-N-[2-oxo-2-(propylamino)ethyl]-6-(propylamino)pyridine-2-carboxamide
CID 62168552
3-chloro-6-(propylamino)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-carboxamide
CID 62174427
3-chloro-6-(propylamino)-N-(thiatriazol-5-yl)pyridine-2-carboxamide
CID 114914367
3-chloro-N-(2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62167329
N-(5-bromo-1,3-thiazol-2-yl)-3-chloro-6-(propylamino)pyridine-2-carboxamide
CID 62179315
3-chloro-N-(2-methylbutyl)-6-(propylamino)pyridine-2-carboxamide
CID 62691457
N-(2-bromophenyl)-3-chloro-6-(propylamino)pyridine-2-carboxamide
CID 62165496
3-chloro-N-pentan-3-yl-6-(propylamino)pyridine-2-carboxamide
CID 62171311
3-chloro-N-(3-ethoxypropyl)-6-(propylamino)pyridine-2-carboxamide
CID 62165038
3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)-2-(propylamino)pyridine-4-carboxamide
CID 105387666
6-methyl-N-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)pyridine-3-carboxamide
CID 116787996

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(6-oxo-1H-pyridazin-3-yl)-6-(propylamino)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-(6-oxo-1H-pyridazin-3-yl)-6-(propylamino)pyridine-2-carboxamide (CID 116788007) is 3-chloro-N-(6-oxo-1H-pyridazin-3-yl)-6-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(6-oxo-1H-pyridazin-3-yl)-6-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(6-oxo-1H-pyridazin-3-yl)-6-(propylamino)pyridine-2-carboxamide is CCCNc1ccc(Cl)c(C(=O)Nc2ccc(=O)[nH]n2)n1.
What is the InChIKey of 3-chloro-N-(6-oxo-1H-pyridazin-3-yl)-6-(propylamino)pyridine-2-carboxamide?
The InChIKey is RIHBHZBGBCQIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O2/c1-2-7-15-9-4-3-8(14)12(16-9)13(21)17-10-5-6-11(20)19-18-10/h3-6H,2,7H2,1H3,(H,15,16)(H,19,20)(H,17,18,21).
What are the key properties of 3-chloro-N-(6-oxo-1H-pyridazin-3-yl)-6-(propylamino)pyridine-2-carboxamide?
3-chloro-N-(6-oxo-1H-pyridazin-3-yl)-6-(propylamino)pyridine-2-carboxamide has a molecular weight of 307.74 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(6-oxo-1H-pyridazin-3-yl)-6-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 116788007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).