6-[3-chloro-4-(1-phenylethylamino)anilino]-N-methylpyridazine-3-carboxamide

C20H20ClN5O — CID 167773043

IUPAC6-[3-chloro-4-(1-phenylethylamino)anilino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(Nc2ccc(NC(C)c3ccccc3)c(Cl)c2)nn1
InChIInChI=1S/C20H20ClN5O/c1-13(14-6-4-3-5-7-14)23-17-9-8-15(12-16(17)21)24-19-11-10-18(25-26-19)20(27)22-2/h3-13,23H,1-2H3,(H,22,27)(H,24,26)
InChIKeyBQCHHVBSVOLWAK-UHFFFAOYSA-N
MW381.87 g/mol
LogP4.41
Rot. Bonds6

About 6-[3-chloro-4-(1-phenylethylamino)anilino]-N-methylpyridazine-3-carboxamide

6-[3-chloro-4-(1-phenylethylamino)anilino]-N-methylpyridazine-3-carboxamide (PubChem CID 167773043) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is 6-[3-chloro-4-(1-phenylethylamino)anilino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[3-chloro-4-(1-phenylethylamino)anilino]-N-methylpyridazine-3-carboxamide
PubChem CID167773043
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC Name6-[3-chloro-4-(1-phenylethylamino)anilino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(Nc2ccc(NC(C)c3ccccc3)c(Cl)c2)nn1
InChIInChI=1S/C20H20ClN5O/c1-13(14-6-4-3-5-7-14)23-17-9-8-15(12-16(17)21)24-19-11-10-18(25-26-19)20(27)22-2/h3-13,23H,1-2H3,(H,22,27)(H,24,26)
InChIKeyBQCHHVBSVOLWAK-UHFFFAOYSA-N
XLogP4.41
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide
CID 109124934
1-[3-chloro-4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyridin-4-ylurea
CID 52501243
6-[1-(3-bromophenyl)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79207097
6-(3-chloro-4-fluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109126674
3-chloro-4-(1-phenylethylamino)benzoic acid
CID 63088121
N-[3-chloro-4-(1-phenylethylamino)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119743334
N-butan-2-yl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide
CID 109111709
6-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109118785
N-benzyl-6-(3-chloro-4-methylanilino)pyridazine-3-carboxamide
CID 109117925
3-amino-N-[3-chloro-4-[[(1S)-1-phenylethyl]amino]phenyl]pyrazine-2-carboxamide
CID 52763720
2,4-dichloro-N-(1-phenylethyl)aniline
CID 43082155
methyl 2-[[6-(3-chloro-4-methylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109128960

Frequently Asked Questions

What is the IUPAC name of 6-[3-chloro-4-(1-phenylethylamino)anilino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[3-chloro-4-(1-phenylethylamino)anilino]-N-methylpyridazine-3-carboxamide (CID 167773043) is 6-[3-chloro-4-(1-phenylethylamino)anilino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[3-chloro-4-(1-phenylethylamino)anilino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[3-chloro-4-(1-phenylethylamino)anilino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(Nc2ccc(NC(C)c3ccccc3)c(Cl)c2)nn1.
What is the InChIKey of 6-[3-chloro-4-(1-phenylethylamino)anilino]-N-methylpyridazine-3-carboxamide?
The InChIKey is BQCHHVBSVOLWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c1-13(14-6-4-3-5-7-14)23-17-9-8-15(12-16(17)21)24-19-11-10-18(25-26-19)20(27)22-2/h3-13,23H,1-2H3,(H,22,27)(H,24,26).
What are the key properties of 6-[3-chloro-4-(1-phenylethylamino)anilino]-N-methylpyridazine-3-carboxamide?
6-[3-chloro-4-(1-phenylethylamino)anilino]-N-methylpyridazine-3-carboxamide has a molecular weight of 381.87 g/mol, XLogP of 4.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-chloro-4-(1-phenylethylamino)anilino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 167773043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).