N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-methyl-1H-pyrrole-2-carboxamide

C17H24N4O2 — CID 128988050

IUPACN-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-methyl-1H-pyrrole-2-carboxamide
SMILESCCn1ccnc1C(NC(=O)c1[nH]ccc1C)C1CCOCC1
InChIInChI=1S/C17H24N4O2/c1-3-21-9-8-19-16(21)15(13-5-10-23-11-6-13)20-17(22)14-12(2)4-7-18-14/h4,7-9,13,15,18H,3,5-6,10-11H2,1-2H3,(H,20,22)
InChIKeyPXRPZLJYBNZWJN-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.44
Rot. Bonds5

About N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-methyl-1H-pyrrole-2-carboxamide

N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-methyl-1H-pyrrole-2-carboxamide (PubChem CID 128988050) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-methyl-1H-pyrrole-2-carboxamide
PubChem CID128988050
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-methyl-1H-pyrrole-2-carboxamide
SMILESCCn1ccnc1C(NC(=O)c1[nH]ccc1C)C1CCOCC1
InChIInChI=1S/C17H24N4O2/c1-3-21-9-8-19-16(21)15(13-5-10-23-11-6-13)20-17(22)14-12(2)4-7-18-14/h4,7-9,13,15,18H,3,5-6,10-11H2,1-2H3,(H,20,22)
InChIKeyPXRPZLJYBNZWJN-UHFFFAOYSA-N
XLogP2.44
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-methyl-1H-pyrrole-2-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-[(R)-(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-methylpyridine-3-carboxamide
CID 129351792
N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-fluoropyridine-4-carboxamide
CID 128988103
4-benzoyl-N-[(S)-(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]piperazine-1-carboxamide
CID 164638768
N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide
CID 129487211
N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]oxan-3-amine
CID 128981950
4-ethyl-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-2-carboxamide
CID 129487085
5-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazine-2-carboxamide
CID 128988052
N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-3-sulfonamide
CID 167794018
6-[[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]amino]pyridine-2-carbonitrile
CID 154796340
6-methyl-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-2-carboxamide
CID 129487208
1-(1-ethylimidazol-2-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(oxan-4-yl)methanamine
CID 128976454
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 122572248

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-methyl-1H-pyrrole-2-carboxamide (CID 128988050) is N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-methyl-1H-pyrrole-2-carboxamide is CCn1ccnc1C(NC(=O)c1[nH]ccc1C)C1CCOCC1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is PXRPZLJYBNZWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-3-21-9-8-19-16(21)15(13-5-10-23-11-6-13)20-17(22)14-12(2)4-7-18-14/h4,7-9,13,15,18H,3,5-6,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-methyl-1H-pyrrole-2-carboxamide?
N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 128988050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).