N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide

C26H30N6O2 — CID 122279108

IUPACN-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(-c2ccc(N3CCCCCC3)nn2)cc1)n1nc(C2CC2)ccc1=O
InChIInChI=1S/C26H30N6O2/c1-18(32-25(33)15-13-23(30-32)20-6-7-20)26(34)27-21-10-8-19(9-11-21)22-12-14-24(29-28-22)31-16-4-2-3-5-17-31/h8-15,18,20H,2-7,16-17H2,1H3,(H,27,34)
InChIKeyORJPBFOVQPQHIG-UHFFFAOYSA-N
MW458.57 g/mol
LogP4.16
Rot. Bonds6

About N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide

N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide (PubChem CID 122279108) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide
PubChem CID122279108
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC NameN-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(-c2ccc(N3CCCCCC3)nn2)cc1)n1nc(C2CC2)ccc1=O
InChIInChI=1S/C26H30N6O2/c1-18(32-25(33)15-13-23(30-32)20-6-7-20)26(34)27-21-10-8-19(9-11-21)22-12-14-24(29-28-22)31-16-4-2-3-5-17-31/h8-15,18,20H,2-7,16-17H2,1H3,(H,27,34)
InChIKeyORJPBFOVQPQHIG-UHFFFAOYSA-N
XLogP4.16
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-bromophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide
CID 122278854
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 122278659
1-(4-methylphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992694
2-[1-(azepan-1-yl)-1-oxopropan-2-yl]-6-cyclopropylpyridazin-3-one
CID 122278751
2-(4-methoxyphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide
CID 43992664
N-(cyclohexylmethyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide
CID 122279060
2-[1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-fluorophenyl)pyridazin-3-one
CID 122279517
1-phenyl-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992543
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53098734
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 8670425
N-(4-chloro-3-nitrophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide
CID 122278968
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-tert-butylbenzamide
CID 43992152

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide?
The IUPAC name of N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide (CID 122279108) is N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide.
What is the SMILES notation for N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide?
The canonical SMILES for N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide is CC(C(=O)Nc1ccc(-c2ccc(N3CCCCCC3)nn2)cc1)n1nc(C2CC2)ccc1=O.
What is the InChIKey of N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide?
The InChIKey is ORJPBFOVQPQHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-18(32-25(33)15-13-23(30-32)20-6-7-20)26(34)27-21-10-8-19(9-11-21)22-12-14-24(29-28-22)31-16-4-2-3-5-17-31/h8-15,18,20H,2-7,16-17H2,1H3,(H,27,34).
What are the key properties of N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide?
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide has a molecular weight of 458.57 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide is sourced from PubChem (CID 122279108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).