6-(4-cyanoanilino)-N-cyclopropylpyridazine-3-carboxamide

C15H13N5O — CID 109110178

IUPAC6-(4-cyanoanilino)-N-cyclopropylpyridazine-3-carboxamide
SMILESN#Cc1ccc(Nc2ccc(C(=O)NC3CC3)nn2)cc1
InChIInChI=1S/C15H13N5O/c16-9-10-1-3-11(4-2-10)17-14-8-7-13(19-20-14)15(21)18-12-5-6-12/h1-4,7-8,12H,5-6H2,(H,17,20)(H,18,21)
InChIKeyBGWWCWCXPQNESZ-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.98
Rot. Bonds4

About 6-(4-cyanoanilino)-N-cyclopropylpyridazine-3-carboxamide

6-(4-cyanoanilino)-N-cyclopropylpyridazine-3-carboxamide (PubChem CID 109110178) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 6-(4-cyanoanilino)-N-cyclopropylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-cyanoanilino)-N-cyclopropylpyridazine-3-carboxamide
PubChem CID109110178
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name6-(4-cyanoanilino)-N-cyclopropylpyridazine-3-carboxamide
SMILESN#Cc1ccc(Nc2ccc(C(=O)NC3CC3)nn2)cc1
InChIInChI=1S/C15H13N5O/c16-9-10-1-3-11(4-2-10)17-14-8-7-13(19-20-14)15(21)18-12-5-6-12/h1-4,7-8,12H,5-6H2,(H,17,20)(H,18,21)
InChIKeyBGWWCWCXPQNESZ-UHFFFAOYSA-N
XLogP1.98
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-chloroanilino)-N-cyclopentylpyridazine-3-carboxamide
CID 109112372
N-butyl-6-(4-cyanoanilino)pyridazine-3-carboxamide
CID 109110955
N-cyclopropyl-6-[4-(diethylamino)anilino]pyridazine-3-carboxamide
CID 109110139
5-(4-cyanoanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109183058
N-cyclopentyl-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109112406
6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109130370
N-cyclopropyl-6-(2,6-dichloroanilino)pyridazine-3-carboxamide
CID 109110170
N-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109110127
N-(2-tert-butylphenyl)-6-(4-cyanoanilino)pyridazine-3-carboxamide
CID 109128319
6-(4-cyanoanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121222
N-(4-cyanophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109130101
6-(cycloheptylamino)-N-cyclopropylpyridazine-3-carboxamide
CID 109110063

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyanoanilino)-N-cyclopropylpyridazine-3-carboxamide?
The IUPAC name of 6-(4-cyanoanilino)-N-cyclopropylpyridazine-3-carboxamide (CID 109110178) is 6-(4-cyanoanilino)-N-cyclopropylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-cyanoanilino)-N-cyclopropylpyridazine-3-carboxamide?
The canonical SMILES for 6-(4-cyanoanilino)-N-cyclopropylpyridazine-3-carboxamide is N#Cc1ccc(Nc2ccc(C(=O)NC3CC3)nn2)cc1.
What is the InChIKey of 6-(4-cyanoanilino)-N-cyclopropylpyridazine-3-carboxamide?
The InChIKey is BGWWCWCXPQNESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c16-9-10-1-3-11(4-2-10)17-14-8-7-13(19-20-14)15(21)18-12-5-6-12/h1-4,7-8,12H,5-6H2,(H,17,20)(H,18,21).
What are the key properties of 6-(4-cyanoanilino)-N-cyclopropylpyridazine-3-carboxamide?
6-(4-cyanoanilino)-N-cyclopropylpyridazine-3-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyanoanilino)-N-cyclopropylpyridazine-3-carboxamide is sourced from PubChem (CID 109110178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).