2-amino-4-phenyl-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile

C17H15N5 — CID 684664

IUPAC2-amino-4-phenyl-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(N2CCCC2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C17H15N5/c18-10-13-15(12-6-2-1-3-7-12)14(11-19)17(21-16(13)20)22-8-4-5-9-22/h1-3,6-7H,4-5,8-9H2,(H2,20,21)
InChIKeyDQDILNDNGZRYFK-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.67
Rot. Bonds2

About 2-amino-4-phenyl-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile

2-amino-4-phenyl-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile (PubChem CID 684664) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-amino-4-phenyl-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-phenyl-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile
PubChem CID684664
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name2-amino-4-phenyl-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(N2CCCC2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C17H15N5/c18-10-13-15(12-6-2-1-3-7-12)14(11-19)17(21-16(13)20)22-8-4-5-9-22/h1-3,6-7H,4-5,8-9H2,(H2,20,21)
InChIKeyDQDILNDNGZRYFK-UHFFFAOYSA-N
XLogP2.67
TPSA89.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ST001233
CID 610514
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
CID 660897
3-(1-Pyridin-2-yl-1H-pyrrol-3-yl)-benzonitrile
CID 10131083
2-Amino-5-phenyl-1-pyridin-2-ylpyrrole-3-carbonitrile
CID 71457777
2-[4-(1-Benzylpiperidin-4-yl)butylamino]-6-(prop-2-ynylamino)pyridine-3,5-dicarbonitrile
CID 145968525
3-(Benzylamino)-1-(diethylamino)-7-ethyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
CID 630595
3-(Benzylamino)-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 749177
3-(Benzylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 797798
3-(benzylamino)-7-methyl-1-(prop-2-enylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 564006
2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carbonitrile
CID 2763308
2-Amino-5,6-dimethyl-4-phenylnicotinonitrile
CID 650363
3-(2-aminoethylamino)-7-benzyl-1-(benzylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 657445

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-phenyl-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile (CID 684664) is 2-amino-4-phenyl-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-phenyl-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-phenyl-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(N2CCCC2)c(C#N)c1-c1ccccc1.
What is the InChIKey of 2-amino-4-phenyl-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile?
The InChIKey is DQDILNDNGZRYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c18-10-13-15(12-6-2-1-3-7-12)14(11-19)17(21-16(13)20)22-8-4-5-9-22/h1-3,6-7H,4-5,8-9H2,(H2,20,21).
What are the key properties of 2-amino-4-phenyl-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile?
2-amino-4-phenyl-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile has a molecular weight of 289.34 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 684664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).