2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile

C18H20N4 — CID 16567838

IUPAC2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCc1ccccc1CN1CCCC1
InChIInChI=1S/C18H20N4/c19-12-15-8-5-9-20-18(15)21-13-16-6-1-2-7-17(16)14-22-10-3-4-11-22/h1-2,5-9H,3-4,10-11,13-14H2,(H,20,21)
InChIKeyPYWDKDXHXADZCC-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.16
Rot. Bonds5

About 2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile

2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile (PubChem CID 16567838) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile
PubChem CID16567838
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCc1ccccc1CN1CCCC1
InChIInChI=1S/C18H20N4/c19-12-15-8-5-9-20-18(15)21-13-16-6-1-2-7-17(16)14-22-10-3-4-11-22/h1-2,5-9H,3-4,10-11,13-14H2,(H,20,21)
InChIKeyPYWDKDXHXADZCC-UHFFFAOYSA-N
XLogP3.16
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxyphenyl)methylamino]pyridine-3-carbonitrile
CID 113228777
2-(aziridin-1-ylmethyl)benzonitrile
CID 102051024
N-propyl-3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470751
2-[(5-amino-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile
CID 79524488
3-[(2-ethylphenyl)methylamino]pyridazine-4-carbonitrile
CID 80509735
2-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyridine-3-carbonitrile
CID 51969093
2-(2-cyanophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9142639
3-chloro-5-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]-1,2-thiazole-4-carbonitrile
CID 56809113
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 134031869
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 31618852
2-[(2-cyanophenyl)sulfonylamino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9143151
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-nitropyridin-2-amine
CID 60504549

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile (CID 16567838) is 2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile is N#Cc1cccnc1NCc1ccccc1CN1CCCC1.
What is the InChIKey of 2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile?
The InChIKey is PYWDKDXHXADZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c19-12-15-8-5-9-20-18(15)21-13-16-6-1-2-7-17(16)14-22-10-3-4-11-22/h1-2,5-9H,3-4,10-11,13-14H2,(H,20,21).
What are the key properties of 2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile?
2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile has a molecular weight of 292.39 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 16567838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).