N-(2-hydroxyethyl)-6-[[3-[3-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylphenyl]-6-oxo-1H-pyridazin-5-yl]amino]pyridine-3-carboxamide

C27H26N6O5 — CID 71022361

IUPACN-(2-hydroxyethyl)-6-[[3-[3-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylphenyl]-6-oxo-1H-pyridazin-5-yl]amino]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(-c3cc(Nc4ccc(C(=O)NCCO)cn4)c(=O)[nH]n3)c2C)c(O)c1
InChIInChI=1S/C27H26N6O5/c1-15-6-8-19(23(35)12-15)26(37)31-20-5-3-4-18(16(20)2)21-13-22(27(38)33-32-21)30-24-9-7-17(14-29-24)25(36)28-10-11-34/h3-9,12-14,34-35H,10-11H2,1-2H3,(H,28,36)(H,31,37)(H,33,38)(H,29,30,32)
InChIKeyKPCGGJJLOVRRBJ-UHFFFAOYSA-N
MW514.54 g/mol
LogP2.87
Rot. Bonds8

About N-(2-hydroxyethyl)-6-[[3-[3-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylphenyl]-6-oxo-1H-pyridazin-5-yl]amino]pyridine-3-carboxamide

N-(2-hydroxyethyl)-6-[[3-[3-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylphenyl]-6-oxo-1H-pyridazin-5-yl]amino]pyridine-3-carboxamide (PubChem CID 71022361) has the molecular formula C27H26N6O5 and a molecular weight of 514.54 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-6-[[3-[3-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylphenyl]-6-oxo-1H-pyridazin-5-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-6-[[3-[3-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylphenyl]-6-oxo-1H-pyridazin-5-yl]amino]pyridine-3-carboxamide
PubChem CID71022361
Molecular FormulaC27H26N6O5
Molecular Weight514.54 g/mol
Exact Mass514.20
IUPAC NameN-(2-hydroxyethyl)-6-[[3-[3-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylphenyl]-6-oxo-1H-pyridazin-5-yl]amino]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(-c3cc(Nc4ccc(C(=O)NCCO)cn4)c(=O)[nH]n3)c2C)c(O)c1
InChIInChI=1S/C27H26N6O5/c1-15-6-8-19(23(35)12-15)26(37)31-20-5-3-4-18(16(20)2)21-13-22(27(38)33-32-21)30-24-9-7-17(14-29-24)25(36)28-10-11-34/h3-9,12-14,34-35H,10-11H2,1-2H3,(H,28,36)(H,31,37)(H,33,38)(H,29,30,32)
InChIKeyKPCGGJJLOVRRBJ-UHFFFAOYSA-N
XLogP2.87
TPSA169.33 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.54
LogP ≤ 52.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Related Compounds

4-methyl-N-[2-methyl-3-[5-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridazin-3-yl]phenyl]benzamide
CID 71022310
6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 118341436
6-[(2-hydroxy-4-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 61317963
N-[2-methyl-3-[5-[[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-1-benzothiophene-2-carboxamide
CID 58540391
4-methyl-N-[3-[5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridazin-3-yl]phenyl]benzamide
CID 71022334
6-(2-methoxy-5-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158318
6-(2-bromo-4-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153082
N-(2,5-dimethylphenyl)-6-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109162626
N-[2-(1H-indol-3-yl)ethyl]-6-(2-methylanilino)pyridine-3-carboxamide
CID 109159746
N-(1,3-dioxoisoindol-4-yl)-2,4-dimethylbenzamide
CID 2086901
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-hydroxy-4-methylbenzamide
CID 115603617
6-(2-ethoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109164093

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-6-[[3-[3-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylphenyl]-6-oxo-1H-pyridazin-5-yl]amino]pyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-6-[[3-[3-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylphenyl]-6-oxo-1H-pyridazin-5-yl]amino]pyridine-3-carboxamide (CID 71022361) is N-(2-hydroxyethyl)-6-[[3-[3-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylphenyl]-6-oxo-1H-pyridazin-5-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-6-[[3-[3-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylphenyl]-6-oxo-1H-pyridazin-5-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-6-[[3-[3-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylphenyl]-6-oxo-1H-pyridazin-5-yl]amino]pyridine-3-carboxamide is Cc1ccc(C(=O)Nc2cccc(-c3cc(Nc4ccc(C(=O)NCCO)cn4)c(=O)[nH]n3)c2C)c(O)c1.
What is the InChIKey of N-(2-hydroxyethyl)-6-[[3-[3-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylphenyl]-6-oxo-1H-pyridazin-5-yl]amino]pyridine-3-carboxamide?
The InChIKey is KPCGGJJLOVRRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O5/c1-15-6-8-19(23(35)12-15)26(37)31-20-5-3-4-18(16(20)2)21-13-22(27(38)33-32-21)30-24-9-7-17(14-29-24)25(36)28-10-11-34/h3-9,12-14,34-35H,10-11H2,1-2H3,(H,28,36)(H,31,37)(H,33,38)(H,29,30,32).
What are the key properties of N-(2-hydroxyethyl)-6-[[3-[3-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylphenyl]-6-oxo-1H-pyridazin-5-yl]amino]pyridine-3-carboxamide?
N-(2-hydroxyethyl)-6-[[3-[3-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylphenyl]-6-oxo-1H-pyridazin-5-yl]amino]pyridine-3-carboxamide has a molecular weight of 514.54 g/mol, XLogP of 2.87, 8 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-6-[[3-[3-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylphenyl]-6-oxo-1H-pyridazin-5-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 71022361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).