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

C17H16N4O — CID 168988813

IUPACN-[4-(4-cyano-3-pyridinyl)-2-pyrrolidin-1-ylphenyl]formamide
SMILESN#Cc1ccncc1-c1ccc(NC=O)c(N2CCCC2)c1
InChIInChI=1S/C17H16N4O/c18-10-14-5-6-19-11-15(14)13-3-4-16(20-12-22)17(9-13)21-7-1-2-8-21/h3-6,9,11-12H,1-2,7-8H2,(H,20,22)
InChIKeyPBKGGAXEHRSMDX-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.79
Rot. Bonds4

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

N-[4-(4-cyano-3-pyridinyl)-2-pyrrolidin-1-ylphenyl]formamide (PubChem CID 168988813) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[4-(4-cyano-3-pyridinyl)-2-pyrrolidin-1-ylphenyl]formamide.

Molecular Properties

Compound NameN-[4-(4-cyano-3-pyridinyl)-2-pyrrolidin-1-ylphenyl]formamide
PubChem CID168988813
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-[4-(4-cyano-3-pyridinyl)-2-pyrrolidin-1-ylphenyl]formamide
SMILESN#Cc1ccncc1-c1ccc(NC=O)c(N2CCCC2)c1
InChIInChI=1S/C17H16N4O/c18-10-14-5-6-19-11-15(14)13-3-4-16(20-12-22)17(9-13)21-7-1-2-8-21/h3-6,9,11-12H,1-2,7-8H2,(H,20,22)
InChIKeyPBKGGAXEHRSMDX-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

N-[4-(3-cyano-4-pyrrolidin-1-ylphenyl)-2-pyridinyl]formamide
CID 129270815
4-(4-piperidin-1-ylphenyl)pyridine-3-carbonitrile
CID 118401000
4-pyrrolidin-1-ylpyridine-3-carbaldehyde
CID 10607369
3-(4-chlorophenyl)pyridine-4-carbonitrile
CID 124706969
4-[1-methyl-5-(4-piperidin-1-ylphenyl)pyrrol-2-yl]pyridine-3-carbonitrile
CID 153371436
3-[3-(2-phenoxazin-10-ylphenyl)phenyl]pyridine-4-carbonitrile
CID 146543305
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)formamide
CID 167044569
3-[4-[7-[4-(4-cyano-3-pyridinyl)phenyl]pyren-2-yl]phenyl]pyridine-4-carbonitrile
CID 126542272
3-(4-methylazepan-1-yl)pyridine-4-carbonitrile
CID 114287585
N-[4-[4-(3-formamido-4-pyridinyl)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-1-yl]-3-pyridinyl]formamide
CID 155745165
5-pyridin-4-yl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile
CID 59930341
5-pyridin-4-yl-2-pyrrolidin-1-ylpyridine-3-carbonitrile
CID 14256459

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyano-3-pyridinyl)-2-pyrrolidin-1-ylphenyl]formamide?
The IUPAC name of N-[4-(4-cyano-3-pyridinyl)-2-pyrrolidin-1-ylphenyl]formamide (CID 168988813) is N-[4-(4-cyano-3-pyridinyl)-2-pyrrolidin-1-ylphenyl]formamide.
What is the SMILES notation for N-[4-(4-cyano-3-pyridinyl)-2-pyrrolidin-1-ylphenyl]formamide?
The canonical SMILES for N-[4-(4-cyano-3-pyridinyl)-2-pyrrolidin-1-ylphenyl]formamide is N#Cc1ccncc1-c1ccc(NC=O)c(N2CCCC2)c1.
What is the InChIKey of N-[4-(4-cyano-3-pyridinyl)-2-pyrrolidin-1-ylphenyl]formamide?
The InChIKey is PBKGGAXEHRSMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c18-10-14-5-6-19-11-15(14)13-3-4-16(20-12-22)17(9-13)21-7-1-2-8-21/h3-6,9,11-12H,1-2,7-8H2,(H,20,22).
What are the key properties of N-[4-(4-cyano-3-pyridinyl)-2-pyrrolidin-1-ylphenyl]formamide?
N-[4-(4-cyano-3-pyridinyl)-2-pyrrolidin-1-ylphenyl]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-(4-cyano-3-pyridinyl)-2-pyrrolidin-1-ylphenyl]formamide is sourced from PubChem (CID 168988813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).