N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-4-carboxamide

C14H15N5O — CID 71789978

IUPACN-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-4-carboxamide
SMILESO=C(Nc1cnc(N2CCCC2)nc1)c1ccncc1
InChIInChI=1S/C14H15N5O/c20-13(11-3-5-15-6-4-11)18-12-9-16-14(17-10-12)19-7-1-2-8-19/h3-6,9-10H,1-2,7-8H2,(H,18,20)
InChIKeyFPYSFEVNSQLCNN-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.72
Rot. Bonds3

About N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-4-carboxamide

N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-4-carboxamide (PubChem CID 71789978) 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-4-carboxamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-4-carboxamide
PubChem CID71789978
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-4-carboxamide
SMILESO=C(Nc1cnc(N2CCCC2)nc1)c1ccncc1
InChIInChI=1S/C14H15N5O/c20-13(11-3-5-15-6-4-11)18-12-9-16-14(17-10-12)19-7-1-2-8-19/h3-6,9-10H,1-2,7-8H2,(H,18,20)
InChIKeyFPYSFEVNSQLCNN-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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Related Compounds

4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014756
3,4-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53164633
N-[2-(azepan-1-yl)pyrimidin-5-yl]-6-chloropyridine-3-carboxamide
CID 53164742
4-phenoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298612
N-[2-(azepan-1-yl)pyrimidin-5-yl]pyrazine-2-carboxamide
CID 53164765
3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014754
N-(2-piperidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzamide
CID 122298622
3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298426
3-fluoro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53014760
N-phenyl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53108527
2-(azepan-1-yl)-N-(4-tert-butylphenyl)pyrimidine-5-carboxamide
CID 109264979
N-(3,4-dichlorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250257

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-4-carboxamide?
The IUPAC name of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-4-carboxamide (CID 71789978) is N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-4-carboxamide is O=C(Nc1cnc(N2CCCC2)nc1)c1ccncc1.
What is the InChIKey of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-4-carboxamide?
The InChIKey is FPYSFEVNSQLCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c20-13(11-3-5-15-6-4-11)18-12-9-16-14(17-10-12)19-7-1-2-8-19/h3-6,9-10H,1-2,7-8H2,(H,18,20).
What are the key properties of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-4-carboxamide?
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-4-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-4-carboxamide is sourced from PubChem (CID 71789978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).