5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide;molecular hydrogen

C17H29N3O2 — CID 145040163

IUPAC5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide;molecular hydrogen
SMILESCC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccc(C3CC3)c(=O)[nH]2)C1.[H][H].[H][H]
InChIInChI=1S/C17H25N3O2.2H2/c1-10(2)20-8-11(3)15(9-20)19-17(22)14-7-6-13(12-4-5-12)16(21)18-14;;/h6-7,10-12,15H,4-5,8-9H2,1-3H3,(H,18,21)(H,19,22);2*1H/t11-,15-;;/m1../s1
InChIKeyPPLAJWIDVIWVSG-XGVFAZNSSA-N
MW307.44 g/mol
LogP2.20
Rot. Bonds4

About 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide;molecular hydrogen

5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide;molecular hydrogen (PubChem CID 145040163) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide;molecular hydrogen
PubChem CID145040163
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide;molecular hydrogen
SMILESCC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccc(C3CC3)c(=O)[nH]2)C1.[H][H].[H][H]
InChIInChI=1S/C17H25N3O2.2H2/c1-10(2)20-8-11(3)15(9-20)19-17(22)14-7-6-13(12-4-5-12)16(21)18-14;;/h6-7,10-12,15H,4-5,8-9H2,1-3H3,(H,18,21)(H,19,22);2*1H/t11-,15-;;/m1../s1
InChIKeyPPLAJWIDVIWVSG-XGVFAZNSSA-N
XLogP2.20
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.20
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]-6-oxo-1H-pyridine-2-carboxamide;molecular hydrogen?
The IUPAC name of 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide;molecular hydrogen (CID 145040163) is 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide;molecular hydrogen?
The canonical SMILES for 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide;molecular hydrogen is CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccc(C3CC3)c(=O)[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]-6-oxo-1H-pyridine-2-carboxamide;molecular hydrogen?
The InChIKey is PPLAJWIDVIWVSG-XGVFAZNSSA-N. The full InChI is InChI=1S/C17H25N3O2.2H2/c1-10(2)20-8-11(3)15(9-20)19-17(22)14-7-6-13(12-4-5-12)16(21)18-14;;/h6-7,10-12,15H,4-5,8-9H2,1-3H3,(H,18,21)(H,19,22);2*1H/t11-,15-;;/m1../s1.
What are the key properties of 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide;molecular hydrogen?
5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide;molecular hydrogen has a molecular weight of 307.44 g/mol, XLogP of 2.20, 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]-6-oxo-1H-pyridine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 145040163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).