N'-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carbonyl]pyridine-2-carbohydrazide

C21H22N4O2 — CID 31851493

IUPACN'-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carbonyl]pyridine-2-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccccn2)c(C)n1[C@@H](C)c1ccccc1
InChIInChI=1S/C21H22N4O2/c1-14-13-18(16(3)25(14)15(2)17-9-5-4-6-10-17)20(26)23-24-21(27)19-11-7-8-12-22-19/h4-13,15H,1-3H3,(H,23,26)(H,24,27)/t15-/m0/s1
InChIKeyWUTDFCRMAUQEFS-HNNXBMFYSA-N
MW362.43 g/mol
LogP3.18
Rot. Bonds4

About N'-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carbonyl]pyridine-2-carbohydrazide

N'-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carbonyl]pyridine-2-carbohydrazide (PubChem CID 31851493) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N'-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carbonyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carbonyl]pyridine-2-carbohydrazide
PubChem CID31851493
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN'-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carbonyl]pyridine-2-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccccn2)c(C)n1[C@@H](C)c1ccccc1
InChIInChI=1S/C21H22N4O2/c1-14-13-18(16(3)25(14)15(2)17-9-5-4-6-10-17)20(26)23-24-21(27)19-11-7-8-12-22-19/h4-13,15H,1-3H3,(H,23,26)(H,24,27)/t15-/m0/s1
InChIKeyWUTDFCRMAUQEFS-HNNXBMFYSA-N
XLogP3.18
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carbonyl]pyridine-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-phenylethyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide
CID 119528404
2,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide
CID 78779504
methyl 2-[[2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carbonyl]amino]-3-methylbutanoate
CID 78861224
N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide
CID 71855695
cis-(1S,3R)-3-[[2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674947
propan-2-yl 3-[[2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carbonyl]amino]propanoate
CID 78852657
N-(2,3-dihydro-1H-inden-2-ylsulfonyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide
CID 167871198
(E)-2-[[2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carbonyl]amino]hex-4-enoic acid
CID 120694075
N'-(2-hydroxy-4-methylbenzoyl)pyridine-2-carbohydrazide
CID 35815605
N'-(2-bromobenzoyl)pyridine-2-carbohydrazide
CID 26533733
N-(3-acetamido-4-fluorophenyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide
CID 86926160
ethyl 4-[[2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carbonyl]amino]butanoate
CID 78852531

Frequently Asked Questions

What is the IUPAC name of N'-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carbonyl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carbonyl]pyridine-2-carbohydrazide (CID 31851493) is N'-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carbonyl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carbonyl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carbonyl]pyridine-2-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2ccccn2)c(C)n1[C@@H](C)c1ccccc1.
What is the InChIKey of N'-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carbonyl]pyridine-2-carbohydrazide?
The InChIKey is WUTDFCRMAUQEFS-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-13-18(16(3)25(14)15(2)17-9-5-4-6-10-17)20(26)23-24-21(27)19-11-7-8-12-22-19/h4-13,15H,1-3H3,(H,23,26)(H,24,27)/t15-/m0/s1.
What are the key properties of N'-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carbonyl]pyridine-2-carbohydrazide?
N'-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carbonyl]pyridine-2-carbohydrazide has a molecular weight of 362.43 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carbonyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 31851493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).