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

C17H25N3O2 — CID 130380640

IUPAC5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccc(C3CC3)c(=O)[nH]2)C1
InChIInChI=1S/C17H25N3O2/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)/t11-,15-/m1/s1
InChIKeyYEALGLNIHOTBKZ-IAQYHMDHSA-N
MW303.41 g/mol
LogP1.71
Rot. Bonds4

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

5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 130380640) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 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 Properties

Compound Name5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide
PubChem CID130380640
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccc(C3CC3)c(=O)[nH]2)C1
InChIInChI=1S/C17H25N3O2/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)/t11-,15-/m1/s1
InChIKeyYEALGLNIHOTBKZ-IAQYHMDHSA-N
XLogP1.71
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 164640053
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CID 156283771
CID 156283771
CID 156283823
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CID 156286420
CID 156286420
CID 168076065
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CID 55794507
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CID 154798592

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?
The IUPAC name of 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide (CID 130380640) is 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide.
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?
The canonical SMILES for 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide is CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccc(C3CC3)c(=O)[nH]2)C1.
What is the InChIKey of 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is YEALGLNIHOTBKZ-IAQYHMDHSA-N. The full InChI is InChI=1S/C17H25N3O2/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)/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?
5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.71, 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 is sourced from PubChem (CID 130380640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).