N-cyclohexyl-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-methylpyridazine-3-carboxamide

C23H27FN4O2 — CID 135294061

IUPACN-cyclohexyl-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-methylpyridazine-3-carboxamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)N(C)C2CCCCC2)nn1
InChIInChI=1S/C23H27FN4O2/c1-14-18(12-15(13-19(14)24)22(29)25-16-8-9-16)20-10-11-21(27-26-20)23(30)28(2)17-6-4-3-5-7-17/h10-13,16-17H,3-9H2,1-2H3,(H,25,29)
InChIKeyKYEMULTYXJFIJY-UHFFFAOYSA-N
MW410.49 g/mol
LogP3.89
Rot. Bonds5

About N-cyclohexyl-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-methylpyridazine-3-carboxamide

N-cyclohexyl-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-methylpyridazine-3-carboxamide (PubChem CID 135294061) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is N-cyclohexyl-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-methylpyridazine-3-carboxamide
PubChem CID135294061
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC NameN-cyclohexyl-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-methylpyridazine-3-carboxamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)N(C)C2CCCCC2)nn1
InChIInChI=1S/C23H27FN4O2/c1-14-18(12-15(13-19(14)24)22(29)25-16-8-9-16)20-10-11-21(27-26-20)23(30)28(2)17-6-4-3-5-7-17/h10-13,16-17H,3-9H2,1-2H3,(H,25,29)
InChIKeyKYEMULTYXJFIJY-UHFFFAOYSA-N
XLogP3.89
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-methylpyridazine-3-carboxamide?
The IUPAC name of N-cyclohexyl-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-methylpyridazine-3-carboxamide (CID 135294061) is N-cyclohexyl-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-methylpyridazine-3-carboxamide is Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)N(C)C2CCCCC2)nn1.
What is the InChIKey of N-cyclohexyl-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-methylpyridazine-3-carboxamide?
The InChIKey is KYEMULTYXJFIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-14-18(12-15(13-19(14)24)22(29)25-16-8-9-16)20-10-11-21(27-26-20)23(30)28(2)17-6-4-3-5-7-17/h10-13,16-17H,3-9H2,1-2H3,(H,25,29).
What are the key properties of N-cyclohexyl-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-methylpyridazine-3-carboxamide?
N-cyclohexyl-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-methylpyridazine-3-carboxamide has a molecular weight of 410.49 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 135294061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).