2-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C19H29N3O2 — CID 56752714

IUPAC2-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCC(C)C[C@H]1CN(c2nc3c(cc2C(N)=O)CCC3)CC[C@@]1(C)O
InChIInChI=1S/C19H29N3O2/c1-12(2)9-14-11-22(8-7-19(14,3)24)18-15(17(20)23)10-13-5-4-6-16(13)21-18/h10,12,14,24H,4-9,11H2,1-3H3,(H2,20,23)/t14-,19+/m0/s1
InChIKeyNJZDNMWEKXDRDS-IFXJQAMLSA-N
MW331.46 g/mol
LogP2.29
Rot. Bonds4

About 2-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

2-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 56752714) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID56752714
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCC(C)C[C@H]1CN(c2nc3c(cc2C(N)=O)CCC3)CC[C@@]1(C)O
InChIInChI=1S/C19H29N3O2/c1-12(2)9-14-11-22(8-7-19(14,3)24)18-15(17(20)23)10-13-5-4-6-16(13)21-18/h10,12,14,24H,4-9,11H2,1-3H3,(H2,20,23)/t14-,19+/m0/s1
InChIKeyNJZDNMWEKXDRDS-IFXJQAMLSA-N
XLogP2.29
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of 2-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 56752714) is 2-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for 2-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is CC(C)C[C@H]1CN(c2nc3c(cc2C(N)=O)CCC3)CC[C@@]1(C)O.
What is the InChIKey of 2-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is NJZDNMWEKXDRDS-IFXJQAMLSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-12(2)9-14-11-22(8-7-19(14,3)24)18-15(17(20)23)10-13-5-4-6-16(13)21-18/h10,12,14,24H,4-9,11H2,1-3H3,(H2,20,23)/t14-,19+/m0/s1.
What are the key properties of 2-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
2-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 56752714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).