N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide

C16H18N4O3 — CID 120944668

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide
SMILESO=C(NCC1CNCC1O)c1ccc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C16H18N4O3/c21-14-9-17-7-10(14)8-19-15(22)11-4-5-13(20-16(11)23)12-3-1-2-6-18-12/h1-6,10,14,17,21H,7-9H2,(H,19,22)(H,20,23)
InChIKeyBAMKEZNZACJGTQ-UHFFFAOYSA-N
MW314.34 g/mol
LogP-0.25
Rot. Bonds4

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide (PubChem CID 120944668) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide
PubChem CID120944668
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide
SMILESO=C(NCC1CNCC1O)c1ccc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C16H18N4O3/c21-14-9-17-7-10(14)8-19-15(22)11-4-5-13(20-16(11)23)12-3-1-2-6-18-12/h1-6,10,14,17,21H,7-9H2,(H,19,22)(H,20,23)
InChIKeyBAMKEZNZACJGTQ-UHFFFAOYSA-N
XLogP-0.25
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide (CID 120944668) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide is O=C(NCC1CNCC1O)c1ccc(-c2ccccn2)[nH]c1=O.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide?
The InChIKey is BAMKEZNZACJGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c21-14-9-17-7-10(14)8-19-15(22)11-4-5-13(20-16(11)23)12-3-1-2-6-18-12/h1-6,10,14,17,21H,7-9H2,(H,19,22)(H,20,23).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide has a molecular weight of 314.34 g/mol, XLogP of -0.25, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 120944668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).