N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide

C14H15N5O — CID 71789977

IUPACN-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cnc(N2CCCC2)nc1)c1cccnc1
InChIInChI=1S/C14H15N5O/c20-13(11-4-3-5-15-8-11)18-12-9-16-14(17-10-12)19-6-1-2-7-19/h3-5,8-10H,1-2,6-7H2,(H,18,20)
InChIKeyLZVUZZBQUXPKKX-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.72
Rot. Bonds3

About N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide

N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide (PubChem CID 71789977) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide
PubChem CID71789977
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cnc(N2CCCC2)nc1)c1cccnc1
InChIInChI=1S/C14H15N5O/c20-13(11-4-3-5-15-8-11)18-12-9-16-14(17-10-12)19-6-1-2-7-19/h3-5,8-10H,1-2,6-7H2,(H,18,20)
InChIKeyLZVUZZBQUXPKKX-UHFFFAOYSA-N
XLogP1.72
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide (CID 71789977) is N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide is O=C(Nc1cnc(N2CCCC2)nc1)c1cccnc1.
What is the InChIKey of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide?
The InChIKey is LZVUZZBQUXPKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c20-13(11-4-3-5-15-8-11)18-12-9-16-14(17-10-12)19-6-1-2-7-19/h3-5,8-10H,1-2,6-7H2,(H,18,20).
What are the key properties of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide?
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide has a molecular weight of 269.31 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 71789977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).