2-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C18H25N3O2 — CID 72840647

IUPAC2-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2nc3c(cc2C(N)=O)CCC3)C[C@@]1(O)C1CCC1
InChIInChI=1S/C18H25N3O2/c1-11-9-21(10-18(11,23)13-5-3-6-13)17-14(16(19)22)8-12-4-2-7-15(12)20-17/h8,11,13,23H,2-7,9-10H2,1H3,(H2,19,22)/t11-,18+/m1/s1
InChIKeyBNONFSYDVNBYGI-ZMZPIMSZSA-N
MW315.42 g/mol
LogP1.66
Rot. Bonds3

About 2-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

2-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 72840647) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID72840647
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2nc3c(cc2C(N)=O)CCC3)C[C@@]1(O)C1CCC1
InChIInChI=1S/C18H25N3O2/c1-11-9-21(10-18(11,23)13-5-3-6-13)17-14(16(19)22)8-12-4-2-7-15(12)20-17/h8,11,13,23H,2-7,9-10H2,1H3,(H2,19,22)/t11-,18+/m1/s1
InChIKeyBNONFSYDVNBYGI-ZMZPIMSZSA-N
XLogP1.66
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of 2-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 72840647) is 2-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for 2-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is C[C@@H]1CN(c2nc3c(cc2C(N)=O)CCC3)C[C@@]1(O)C1CCC1.
What is the InChIKey of 2-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is BNONFSYDVNBYGI-ZMZPIMSZSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-11-9-21(10-18(11,23)13-5-3-6-13)17-14(16(19)22)8-12-4-2-7-15(12)20-17/h8,11,13,23H,2-7,9-10H2,1H3,(H2,19,22)/t11-,18+/m1/s1.
What are the key properties of 2-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
2-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 72840647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).