N-[[3-(4-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]-phenylmethyl]pyridine-4-carboxamide

C28H30N4O4 — CID 54386868

IUPACN-[[3-(4-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]-phenylmethyl]pyridine-4-carboxamide
SMILESCCOc1ccc(C2=NN(C(NC(=O)c3ccncc3)c3ccccc3)C(=O)CC2CC)cc1OC
InChIInChI=1S/C28H30N4O4/c1-4-19-18-25(33)32(31-26(19)22-11-12-23(36-5-2)24(17-22)35-3)27(20-9-7-6-8-10-20)30-28(34)21-13-15-29-16-14-21/h6-17,19,27H,4-5,18H2,1-3H3,(H,30,34)
InChIKeyVDWDGRWCTWDHBD-UHFFFAOYSA-N
MW486.57 g/mol
LogP4.58
Rot. Bonds9

About N-[[3-(4-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]-phenylmethyl]pyridine-4-carboxamide

N-[[3-(4-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]-phenylmethyl]pyridine-4-carboxamide (PubChem CID 54386868) has the molecular formula C28H30N4O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is N-[[3-(4-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]-phenylmethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]-phenylmethyl]pyridine-4-carboxamide
PubChem CID54386868
Molecular FormulaC28H30N4O4
Molecular Weight486.57 g/mol
Exact Mass486.23
IUPAC NameN-[[3-(4-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]-phenylmethyl]pyridine-4-carboxamide
SMILESCCOc1ccc(C2=NN(C(NC(=O)c3ccncc3)c3ccccc3)C(=O)CC2CC)cc1OC
InChIInChI=1S/C28H30N4O4/c1-4-19-18-25(33)32(31-26(19)22-11-12-23(36-5-2)24(17-22)35-3)27(20-9-7-6-8-10-20)30-28(34)21-13-15-29-16-14-21/h6-17,19,27H,4-5,18H2,1-3H3,(H,30,34)
InChIKeyVDWDGRWCTWDHBD-UHFFFAOYSA-N
XLogP4.58
TPSA93.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]-phenylmethyl]pyridine-4-carboxamide?
The IUPAC name of N-[[3-(4-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]-phenylmethyl]pyridine-4-carboxamide (CID 54386868) is N-[[3-(4-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]-phenylmethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[3-(4-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]-phenylmethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[3-(4-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]-phenylmethyl]pyridine-4-carboxamide is CCOc1ccc(C2=NN(C(NC(=O)c3ccncc3)c3ccccc3)C(=O)CC2CC)cc1OC.
What is the InChIKey of N-[[3-(4-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]-phenylmethyl]pyridine-4-carboxamide?
The InChIKey is VDWDGRWCTWDHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4/c1-4-19-18-25(33)32(31-26(19)22-11-12-23(36-5-2)24(17-22)35-3)27(20-9-7-6-8-10-20)30-28(34)21-13-15-29-16-14-21/h6-17,19,27H,4-5,18H2,1-3H3,(H,30,34).
What are the key properties of N-[[3-(4-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]-phenylmethyl]pyridine-4-carboxamide?
N-[[3-(4-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]-phenylmethyl]pyridine-4-carboxamide has a molecular weight of 486.57 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]-phenylmethyl]pyridine-4-carboxamide is sourced from PubChem (CID 54386868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).