N-[(1R,3S)-3-carbamoylcyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide

C18H20N4O2 — CID 136583062

IUPACN-[(1R,3S)-3-carbamoylcyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)N[C@@H]3CC[C@H](C(N)=O)C3)cc2)nn1
InChIInChI=1S/C18H20N4O2/c1-11-2-9-16(22-21-11)12-3-5-13(6-4-12)18(24)20-15-8-7-14(10-15)17(19)23/h2-6,9,14-15H,7-8,10H2,1H3,(H2,19,23)(H,20,24)/t14-,15+/m0/s1
InChIKeyIOMZWXDTESOIEE-LSDHHAIUSA-N
MW324.38 g/mol
LogP1.84
Rot. Bonds4

About N-[(1R,3S)-3-carbamoylcyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide

N-[(1R,3S)-3-carbamoylcyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide (PubChem CID 136583062) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(1R,3S)-3-carbamoylcyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-carbamoylcyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide
PubChem CID136583062
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[(1R,3S)-3-carbamoylcyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)N[C@@H]3CC[C@H](C(N)=O)C3)cc2)nn1
InChIInChI=1S/C18H20N4O2/c1-11-2-9-16(22-21-11)12-3-5-13(6-4-12)18(24)20-15-8-7-14(10-15)17(19)23/h2-6,9,14-15H,7-8,10H2,1H3,(H2,19,23)(H,20,24)/t14-,15+/m0/s1
InChIKeyIOMZWXDTESOIEE-LSDHHAIUSA-N
XLogP1.84
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-methylpyridazin-3-yl)-N-(4-methylthiolan-3-yl)benzamide
CID 154842057
cis-(1S,3R)-3-[[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120675801
N-(3-cyclohexyloxypropyl)-4-(6-methylpyridazin-3-yl)benzamide
CID 119058692
trans-(1R,3R)-3-[(6-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318292
4-(6-methylpyridazin-3-yl)benzoic acid
CID 53426337
N-cyclopentyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53035075
N-cycloheptyl-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320738
N-[(1R,3S)-3-carbamoylcyclopentyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide
CID 154865890
4-[(6-methylpyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 139013608
N-(3-aminocyclopentyl)-4-(4-methyl-3-pyridinyl)benzamide
CID 156607697
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide
CID 146110356
N-ethyl-4-[[3-(6-methylpyridazin-3-yl)benzoyl]amino]piperidine-1-carboxamide
CID 119071436

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-carbamoylcyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide?
The IUPAC name of N-[(1R,3S)-3-carbamoylcyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide (CID 136583062) is N-[(1R,3S)-3-carbamoylcyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide.
What is the SMILES notation for N-[(1R,3S)-3-carbamoylcyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide?
The canonical SMILES for N-[(1R,3S)-3-carbamoylcyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide is Cc1ccc(-c2ccc(C(=O)N[C@@H]3CC[C@H](C(N)=O)C3)cc2)nn1.
What is the InChIKey of N-[(1R,3S)-3-carbamoylcyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide?
The InChIKey is IOMZWXDTESOIEE-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-11-2-9-16(22-21-11)12-3-5-13(6-4-12)18(24)20-15-8-7-14(10-15)17(19)23/h2-6,9,14-15H,7-8,10H2,1H3,(H2,19,23)(H,20,24)/t14-,15+/m0/s1.
What are the key properties of N-[(1R,3S)-3-carbamoylcyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide?
N-[(1R,3S)-3-carbamoylcyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide has a molecular weight of 324.38 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-carbamoylcyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide is sourced from PubChem (CID 136583062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).