N-[4-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]pyridine-3-carboxamide

C29H32N4O3 — CID 10299730

IUPACN-[4-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(C2=NN(Cc3ccc(NC(=O)c4cccnc4)cc3)CCC2)cc1OC1CCCC1
InChIInChI=1S/C29H32N4O3/c1-35-27-15-12-22(18-28(27)36-25-7-2-3-8-25)26-9-5-17-33(32-26)20-21-10-13-24(14-11-21)31-29(34)23-6-4-16-30-19-23/h4,6,10-16,18-19,25H,2-3,5,7-9,17,20H2,1H3,(H,31,34)
InChIKeyAYMCAZGJUFNPNE-UHFFFAOYSA-N
MW484.60 g/mol
LogP5.66
Rot. Bonds8

About N-[4-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]pyridine-3-carboxamide

N-[4-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 10299730) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-[4-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]pyridine-3-carboxamide
PubChem CID10299730
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC NameN-[4-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(C2=NN(Cc3ccc(NC(=O)c4cccnc4)cc3)CCC2)cc1OC1CCCC1
InChIInChI=1S/C29H32N4O3/c1-35-27-15-12-22(18-28(27)36-25-7-2-3-8-25)26-9-5-17-33(32-26)20-21-10-13-24(14-11-21)31-29(34)23-6-4-16-30-19-23/h4,6,10-16,18-19,25H,2-3,5,7-9,17,20H2,1H3,(H,31,34)
InChIKeyAYMCAZGJUFNPNE-UHFFFAOYSA-N
XLogP5.66
TPSA76.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[3-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyrazine-2-carboxamide
CID 18403614
N-[4-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]thiophene-2-carboxamide
CID 18403652
N-[4-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]propanamide
CID 18623336
N-[4-[[3-[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamoyl]phenyl]-3-nitrobenzamide
CID 23433357
N-[3-[[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]furan-2-carboxamide
CID 141065680
N-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrazole-5-carboxamide
CID 141065667
N-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]ethyl]phenyl]-1H-pyrrole-2-carboxamide
CID 141065647
N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 55985016
N-[4-[[3-(4-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridine-3-carboxamide
CID 10299850
N-[3-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyridine-4-carboxamide;hydrochloride
CID 18403713
N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 731708
4-cyclopentyloxy-3-methoxy-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]benzamide
CID 56506249

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]pyridine-3-carboxamide (CID 10299730) is N-[4-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]pyridine-3-carboxamide is COc1ccc(C2=NN(Cc3ccc(NC(=O)c4cccnc4)cc3)CCC2)cc1OC1CCCC1.
What is the InChIKey of N-[4-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is AYMCAZGJUFNPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-35-27-15-12-22(18-28(27)36-25-7-2-3-8-25)26-9-5-17-33(32-26)20-21-10-13-24(14-11-21)31-29(34)23-6-4-16-30-19-23/h4,6,10-16,18-19,25H,2-3,5,7-9,17,20H2,1H3,(H,31,34).
What are the key properties of N-[4-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]pyridine-3-carboxamide?
N-[4-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 5.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 10299730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).