N-[4-(3-cyano-4-pyrrolidin-1-ylphenyl)-2-pyridinyl]formamide

C17H16N4O — CID 129270815

IUPACN-[4-(3-cyano-4-pyrrolidin-1-ylphenyl)-2-pyridinyl]formamide
SMILESN#Cc1cc(-c2ccnc(NC=O)c2)ccc1N1CCCC1
InChIInChI=1S/C17H16N4O/c18-11-15-9-13(3-4-16(15)21-7-1-2-8-21)14-5-6-19-17(10-14)20-12-22/h3-6,9-10,12H,1-2,7-8H2,(H,19,20,22)
InChIKeyWBOYHSDQMJCPCF-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.79
Rot. Bonds4

About N-[4-(3-cyano-4-pyrrolidin-1-ylphenyl)-2-pyridinyl]formamide

N-[4-(3-cyano-4-pyrrolidin-1-ylphenyl)-2-pyridinyl]formamide (PubChem CID 129270815) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[4-(3-cyano-4-pyrrolidin-1-ylphenyl)-2-pyridinyl]formamide.

Molecular Properties

Compound NameN-[4-(3-cyano-4-pyrrolidin-1-ylphenyl)-2-pyridinyl]formamide
PubChem CID129270815
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-[4-(3-cyano-4-pyrrolidin-1-ylphenyl)-2-pyridinyl]formamide
SMILESN#Cc1cc(-c2ccnc(NC=O)c2)ccc1N1CCCC1
InChIInChI=1S/C17H16N4O/c18-11-15-9-13(3-4-16(15)21-7-1-2-8-21)14-5-6-19-17(10-14)20-12-22/h3-6,9-10,12H,1-2,7-8H2,(H,19,20,22)
InChIKeyWBOYHSDQMJCPCF-UHFFFAOYSA-N
XLogP2.79
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyano-4-pyrrolidin-1-ylphenyl)-2-pyridinyl]formamide?
The IUPAC name of N-[4-(3-cyano-4-pyrrolidin-1-ylphenyl)-2-pyridinyl]formamide (CID 129270815) is N-[4-(3-cyano-4-pyrrolidin-1-ylphenyl)-2-pyridinyl]formamide.
What is the SMILES notation for N-[4-(3-cyano-4-pyrrolidin-1-ylphenyl)-2-pyridinyl]formamide?
The canonical SMILES for N-[4-(3-cyano-4-pyrrolidin-1-ylphenyl)-2-pyridinyl]formamide is N#Cc1cc(-c2ccnc(NC=O)c2)ccc1N1CCCC1.
What is the InChIKey of N-[4-(3-cyano-4-pyrrolidin-1-ylphenyl)-2-pyridinyl]formamide?
The InChIKey is WBOYHSDQMJCPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c18-11-15-9-13(3-4-16(15)21-7-1-2-8-21)14-5-6-19-17(10-14)20-12-22/h3-6,9-10,12H,1-2,7-8H2,(H,19,20,22).
What are the key properties of N-[4-(3-cyano-4-pyrrolidin-1-ylphenyl)-2-pyridinyl]formamide?
N-[4-(3-cyano-4-pyrrolidin-1-ylphenyl)-2-pyridinyl]formamide has a molecular weight of 292.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyano-4-pyrrolidin-1-ylphenyl)-2-pyridinyl]formamide is sourced from PubChem (CID 129270815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).