N-[3-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyrazine-2-carboxamide

C28H29N5O4 — CID 18403614

IUPACN-[3-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyrazine-2-carboxamide
SMILESCOc1ccc(C2=NN(C(=O)c3cccc(NC(=O)c4cnccn4)c3)CCC2)cc1OC1CCCC1
InChIInChI=1S/C28H29N5O4/c1-36-25-12-11-19(17-26(25)37-22-8-2-3-9-22)23-10-5-15-33(32-23)28(35)20-6-4-7-21(16-20)31-27(34)24-18-29-13-14-30-24/h4,6-7,11-14,16-18,22H,2-3,5,8-10,15H2,1H3,(H,31,34)
InChIKeyYCHYBGWGMCZLFD-UHFFFAOYSA-N
MW499.57 g/mol
LogP4.70
Rot. Bonds7

About N-[3-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyrazine-2-carboxamide

N-[3-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyrazine-2-carboxamide (PubChem CID 18403614) has the molecular formula C28H29N5O4 and a molecular weight of 499.57 g/mol. Its IUPAC name is N-[3-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyrazine-2-carboxamide
PubChem CID18403614
Molecular FormulaC28H29N5O4
Molecular Weight499.57 g/mol
Exact Mass499.22
IUPAC NameN-[3-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyrazine-2-carboxamide
SMILESCOc1ccc(C2=NN(C(=O)c3cccc(NC(=O)c4cnccn4)c3)CCC2)cc1OC1CCCC1
InChIInChI=1S/C28H29N5O4/c1-36-25-12-11-19(17-26(25)37-22-8-2-3-9-22)23-10-5-15-33(32-23)28(35)20-6-4-7-21(16-20)31-27(34)24-18-29-13-14-30-24/h4,6-7,11-14,16-18,22H,2-3,5,8-10,15H2,1H3,(H,31,34)
InChIKeyYCHYBGWGMCZLFD-UHFFFAOYSA-N
XLogP4.70
TPSA106.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyridine-4-carboxamide;hydrochloride
CID 18403713
N-[4-[[3-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamoyl]phenyl]-3-nitrobenzamide
CID 23433357
N-[4-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]pyridine-3-carboxamide
CID 10299730
N-[4-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]thiophene-2-carboxamide
CID 18403652
N-[4-[[3-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamoyl]phenyl]-3-methylbenzamide
CID 23433342
N-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]-3-[(4-methylbenzoyl)amino]benzamide
CID 23433313
N-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]-3-[(3-nitrobenzoyl)amino]benzamide
CID 23433358
N-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 18695632
methyl 3-(pyrazine-2-carbonylamino)benzoate
CID 862107
N-[3-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]acetamide
CID 21472770
[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 66866495
N-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]-4-[(4-nitrobenzoyl)amino]benzamide
CID 23433311

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyrazine-2-carboxamide (CID 18403614) is N-[3-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyrazine-2-carboxamide is COc1ccc(C2=NN(C(=O)c3cccc(NC(=O)c4cnccn4)c3)CCC2)cc1OC1CCCC1.
What is the InChIKey of N-[3-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyrazine-2-carboxamide?
The InChIKey is YCHYBGWGMCZLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O4/c1-36-25-12-11-19(17-26(25)37-22-8-2-3-9-22)23-10-5-15-33(32-23)28(35)20-6-4-7-21(16-20)31-27(34)24-18-29-13-14-30-24/h4,6-7,11-14,16-18,22H,2-3,5,8-10,15H2,1H3,(H,31,34).
What are the key properties of N-[3-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyrazine-2-carboxamide?
N-[3-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyrazine-2-carboxamide has a molecular weight of 499.57 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 18403614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).