5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1H-imidazole-2-carboxamide;molecular hydrogen

C15H28N4O — CID 145040166

IUPAC5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1H-imidazole-2-carboxamide;molecular hydrogen
SMILESCC(C)N1C[C@@H](C)[C@H](NC(=O)c2ncc(C3CC3)[nH]2)C1.[H][H].[H][H]
InChIInChI=1S/C15H24N4O.2H2/c1-9(2)19-7-10(3)13(8-19)18-15(20)14-16-6-12(17-14)11-4-5-11;;/h6,9-11,13H,4-5,7-8H2,1-3H3,(H,16,17)(H,18,20);2*1H/t10-,13-;;/m1../s1
InChIKeyZBODDBVEKXTDIR-OWVUFADGSA-N
MW280.42 g/mol
LogP2.24
Rot. Bonds4

About 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1H-imidazole-2-carboxamide;molecular hydrogen

5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1H-imidazole-2-carboxamide;molecular hydrogen (PubChem CID 145040166) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1H-imidazole-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1H-imidazole-2-carboxamide;molecular hydrogen
PubChem CID145040166
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1H-imidazole-2-carboxamide;molecular hydrogen
SMILESCC(C)N1C[C@@H](C)[C@H](NC(=O)c2ncc(C3CC3)[nH]2)C1.[H][H].[H][H]
InChIInChI=1S/C15H24N4O.2H2/c1-9(2)19-7-10(3)13(8-19)18-15(20)14-16-6-12(17-14)11-4-5-11;;/h6,9-11,13H,4-5,7-8H2,1-3H3,(H,16,17)(H,18,20);2*1H/t10-,13-;;/m1../s1
InChIKeyZBODDBVEKXTDIR-OWVUFADGSA-N
XLogP2.24
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1H-imidazole-2-carboxamide;molecular hydrogen?
The IUPAC name of 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1H-imidazole-2-carboxamide;molecular hydrogen (CID 145040166) is 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1H-imidazole-2-carboxamide;molecular hydrogen.
What is the SMILES notation for 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1H-imidazole-2-carboxamide;molecular hydrogen?
The canonical SMILES for 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1H-imidazole-2-carboxamide;molecular hydrogen is CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ncc(C3CC3)[nH]2)C1.[H][H].[H][H].
What is the InChIKey of 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1H-imidazole-2-carboxamide;molecular hydrogen?
The InChIKey is ZBODDBVEKXTDIR-OWVUFADGSA-N. The full InChI is InChI=1S/C15H24N4O.2H2/c1-9(2)19-7-10(3)13(8-19)18-15(20)14-16-6-12(17-14)11-4-5-11;;/h6,9-11,13H,4-5,7-8H2,1-3H3,(H,16,17)(H,18,20);2*1H/t10-,13-;;/m1../s1.
What are the key properties of 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1H-imidazole-2-carboxamide;molecular hydrogen?
5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1H-imidazole-2-carboxamide;molecular hydrogen has a molecular weight of 280.42 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1H-imidazole-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 145040166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).