N-[(1S)-1-cyclopentyl-3-hydroxypropyl]-5-(2-oxopyrrolidin-1-yl)pyridine-3-carboxamide

C18H25N3O3 — CID 164633382

IUPACN-[(1S)-1-cyclopentyl-3-hydroxypropyl]-5-(2-oxopyrrolidin-1-yl)pyridine-3-carboxamide
SMILESO=C(N[C@@H](CCO)C1CCCC1)c1cncc(N2CCCC2=O)c1
InChIInChI=1S/C18H25N3O3/c22-9-7-16(13-4-1-2-5-13)20-18(24)14-10-15(12-19-11-14)21-8-3-6-17(21)23/h10-13,16,22H,1-9H2,(H,20,24)/t16-/m0/s1
InChIKeyRMOYOISQCHYMTP-INIZCTEOSA-N
MW331.42 g/mol
LogP1.88
Rot. Bonds6

About N-[(1S)-1-cyclopentyl-3-hydroxypropyl]-5-(2-oxopyrrolidin-1-yl)pyridine-3-carboxamide

N-[(1S)-1-cyclopentyl-3-hydroxypropyl]-5-(2-oxopyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 164633382) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(1S)-1-cyclopentyl-3-hydroxypropyl]-5-(2-oxopyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopentyl-3-hydroxypropyl]-5-(2-oxopyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID164633382
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[(1S)-1-cyclopentyl-3-hydroxypropyl]-5-(2-oxopyrrolidin-1-yl)pyridine-3-carboxamide
SMILESO=C(N[C@@H](CCO)C1CCCC1)c1cncc(N2CCCC2=O)c1
InChIInChI=1S/C18H25N3O3/c22-9-7-16(13-4-1-2-5-13)20-18(24)14-10-15(12-19-11-14)21-8-3-6-17(21)23/h10-13,16,22H,1-9H2,(H,20,24)/t16-/m0/s1
InChIKeyRMOYOISQCHYMTP-INIZCTEOSA-N
XLogP1.88
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopentyl-3-hydroxypropyl]-5-(2-oxopyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-cyclopentyl-3-hydroxypropyl]-5-(2-oxopyrrolidin-1-yl)pyridine-3-carboxamide (CID 164633382) is N-[(1S)-1-cyclopentyl-3-hydroxypropyl]-5-(2-oxopyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclopentyl-3-hydroxypropyl]-5-(2-oxopyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclopentyl-3-hydroxypropyl]-5-(2-oxopyrrolidin-1-yl)pyridine-3-carboxamide is O=C(N[C@@H](CCO)C1CCCC1)c1cncc(N2CCCC2=O)c1.
What is the InChIKey of N-[(1S)-1-cyclopentyl-3-hydroxypropyl]-5-(2-oxopyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is RMOYOISQCHYMTP-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N3O3/c22-9-7-16(13-4-1-2-5-13)20-18(24)14-10-15(12-19-11-14)21-8-3-6-17(21)23/h10-13,16,22H,1-9H2,(H,20,24)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopentyl-3-hydroxypropyl]-5-(2-oxopyrrolidin-1-yl)pyridine-3-carboxamide?
N-[(1S)-1-cyclopentyl-3-hydroxypropyl]-5-(2-oxopyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopentyl-3-hydroxypropyl]-5-(2-oxopyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 164633382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).