N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]-1-methylimidazole-4-carboxamide

C16H26N4O2 — CID 110128241

IUPACN-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)N[C@@H]2CCCC[C@@H](N3CCCC3)[C@@H]2O)c1
InChIInChI=1S/C16H26N4O2/c1-19-10-13(17-11-19)16(22)18-12-6-2-3-7-14(15(12)21)20-8-4-5-9-20/h10-12,14-15,21H,2-9H2,1H3,(H,18,22)/t12-,14-,15-/m1/s1
InChIKeyRFRMTPXBGKSTQE-BPLDGKMQSA-N
MW306.41 g/mol
LogP0.92
Rot. Bonds3

About N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]-1-methylimidazole-4-carboxamide

N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]-1-methylimidazole-4-carboxamide (PubChem CID 110128241) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]-1-methylimidazole-4-carboxamide
PubChem CID110128241
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)N[C@@H]2CCCC[C@@H](N3CCCC3)[C@@H]2O)c1
InChIInChI=1S/C16H26N4O2/c1-19-10-13(17-11-19)16(22)18-12-6-2-3-7-14(15(12)21)20-8-4-5-9-20/h10-12,14-15,21H,2-9H2,1H3,(H,18,22)/t12-,14-,15-/m1/s1
InChIKeyRFRMTPXBGKSTQE-BPLDGKMQSA-N
XLogP0.92
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]-1-methylimidazole-4-carboxamide 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-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-1-methylpyrazole-3-carboxamide
CID 110128062
N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 110127357
4-chloro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-1-propylpyrazole-3-carboxamide
CID 110127930
cyclohexyl-(1-methylimidazol-4-yl)methanone
CID 107976351
4-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]benzamide
CID 110128189
1-methyl-N-pyrrolidin-1-ylimidazole-4-carboxamide
CID 20703287
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-1-methylpyrazole-3-carboxamide
CID 110127542
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]pyrimidine-4-carboxamide
CID 110128094
2,2,3-trimethyl-4-[(1-methylimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 107971728
N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]quinoline-6-carboxamide
CID 110128202
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]benzamide
CID 110128257
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N,1-dimethylimidazole-4-carboxamide
CID 110128117

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]-1-methylimidazole-4-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]-1-methylimidazole-4-carboxamide (CID 110128241) is N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]-1-methylimidazole-4-carboxamide is Cn1cnc(C(=O)N[C@@H]2CCCC[C@@H](N3CCCC3)[C@@H]2O)c1.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]-1-methylimidazole-4-carboxamide?
The InChIKey is RFRMTPXBGKSTQE-BPLDGKMQSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-19-10-13(17-11-19)16(22)18-12-6-2-3-7-14(15(12)21)20-8-4-5-9-20/h10-12,14-15,21H,2-9H2,1H3,(H,18,22)/t12-,14-,15-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]-1-methylimidazole-4-carboxamide?
N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]-1-methylimidazole-4-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 110128241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).