N-cyclopropyl-5-methyl-4-[1-methyl-8-(2-methylphenyl)-2-oxopyrido[2,3-d]pyridazin-3-yl]pyridine-2-carboxamide

C25H23N5O2 — CID 52944103

IUPACN-cyclopropyl-5-methyl-4-[1-methyl-8-(2-methylphenyl)-2-oxopyrido[2,3-d]pyridazin-3-yl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)NC2CC2)cc1-c1cc2cnnc(-c3ccccc3C)c2n(C)c1=O
InChIInChI=1S/C25H23N5O2/c1-14-6-4-5-7-18(14)22-23-16(13-27-29-22)10-20(25(32)30(23)3)19-11-21(26-12-15(19)2)24(31)28-17-8-9-17/h4-7,10-13,17H,8-9H2,1-3H3,(H,28,31)
InChIKeyCYLSAHWKKKGMGY-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.57
Rot. Bonds4

About N-cyclopropyl-5-methyl-4-[1-methyl-8-(2-methylphenyl)-2-oxopyrido[2,3-d]pyridazin-3-yl]pyridine-2-carboxamide

N-cyclopropyl-5-methyl-4-[1-methyl-8-(2-methylphenyl)-2-oxopyrido[2,3-d]pyridazin-3-yl]pyridine-2-carboxamide (PubChem CID 52944103) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-cyclopropyl-5-methyl-4-[1-methyl-8-(2-methylphenyl)-2-oxopyrido[2,3-d]pyridazin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-methyl-4-[1-methyl-8-(2-methylphenyl)-2-oxopyrido[2,3-d]pyridazin-3-yl]pyridine-2-carboxamide
PubChem CID52944103
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC NameN-cyclopropyl-5-methyl-4-[1-methyl-8-(2-methylphenyl)-2-oxopyrido[2,3-d]pyridazin-3-yl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)NC2CC2)cc1-c1cc2cnnc(-c3ccccc3C)c2n(C)c1=O
InChIInChI=1S/C25H23N5O2/c1-14-6-4-5-7-18(14)22-23-16(13-27-29-22)10-20(25(32)30(23)3)19-11-21(26-12-15(19)2)24(31)28-17-8-9-17/h4-7,10-13,17H,8-9H2,1-3H3,(H,28,31)
InChIKeyCYLSAHWKKKGMGY-UHFFFAOYSA-N
XLogP3.57
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-methyl-4-[1-methyl-8-(2-methylphenyl)-2-oxopyrido[2,3-d]pyridazin-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-methyl-4-[1-methyl-8-(2-methylphenyl)-2-oxopyrido[2,3-d]pyridazin-3-yl]pyridine-2-carboxamide (CID 52944103) is N-cyclopropyl-5-methyl-4-[1-methyl-8-(2-methylphenyl)-2-oxopyrido[2,3-d]pyridazin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-methyl-4-[1-methyl-8-(2-methylphenyl)-2-oxopyrido[2,3-d]pyridazin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-methyl-4-[1-methyl-8-(2-methylphenyl)-2-oxopyrido[2,3-d]pyridazin-3-yl]pyridine-2-carboxamide is Cc1cnc(C(=O)NC2CC2)cc1-c1cc2cnnc(-c3ccccc3C)c2n(C)c1=O.
What is the InChIKey of N-cyclopropyl-5-methyl-4-[1-methyl-8-(2-methylphenyl)-2-oxopyrido[2,3-d]pyridazin-3-yl]pyridine-2-carboxamide?
The InChIKey is CYLSAHWKKKGMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-14-6-4-5-7-18(14)22-23-16(13-27-29-22)10-20(25(32)30(23)3)19-11-21(26-12-15(19)2)24(31)28-17-8-9-17/h4-7,10-13,17H,8-9H2,1-3H3,(H,28,31).
What are the key properties of N-cyclopropyl-5-methyl-4-[1-methyl-8-(2-methylphenyl)-2-oxopyrido[2,3-d]pyridazin-3-yl]pyridine-2-carboxamide?
N-cyclopropyl-5-methyl-4-[1-methyl-8-(2-methylphenyl)-2-oxopyrido[2,3-d]pyridazin-3-yl]pyridine-2-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methyl-4-[1-methyl-8-(2-methylphenyl)-2-oxopyrido[2,3-d]pyridazin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 52944103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).