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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Related Compounds

5-(2-amino-4-pyridinyl)-2-pyrrolidin-1-ylbenzonitrile
CID 129244481
N-[4-(3-cyanophenyl)-2-pyridinyl]formamide
CID 134418130
methyl 2-[4-(azocan-1-yl)-3-cyanophenyl]pyridine-4-carboxylate
CID 71156736
N-[4-(4-cyano-3-pyridinyl)-2-pyrrolidin-1-ylphenyl]formamide
CID 168988813
2-(azetidin-1-yl)-5-formylbenzonitrile
CID 126980598
5-(4-fluoro-5-formylthiophen-2-yl)-2-pyrrolidin-1-ylbenzonitrile
CID 89132073
N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]formamide;5-cyclopropyl-1,2-oxazole
CID 145336303
4-amino-4-[4-(3-cyano-4-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]imino-2-methyliminobutanoic acid
CID 123663680
5-[2-[(3-methyl-1,2-oxazol-5-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile
CID 56645831
ethyl 2-[4-(azepan-1-yl)-3-cyanophenyl]pyridine-3-carboxylate
CID 68702088
4-[[4-(3-cyano-4-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]amino]benzamide;N-[4-[[4-(3-cyano-4-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 158864698
5-[[4-(3-cyano-4-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]amino]-1-methylpyrazole-3-carboxamide
CID 56646021

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).