5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridine-2-carbonitrile

C16H17N5 — CID 133335271

IUPAC5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCc2ccc(N3CCCC3)nc2)cn1
InChIInChI=1S/C16H17N5/c17-9-14-4-5-15(12-19-14)18-10-13-3-6-16(20-11-13)21-7-1-2-8-21/h3-6,11-12,18H,1-2,7-8,10H2
InChIKeyJMFFHFNTOJKUJH-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.56
Rot. Bonds4

About 5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridine-2-carbonitrile

5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridine-2-carbonitrile (PubChem CID 133335271) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridine-2-carbonitrile
PubChem CID133335271
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCc2ccc(N3CCCC3)nc2)cn1
InChIInChI=1S/C16H17N5/c17-9-14-4-5-15(12-19-14)18-10-13-3-6-16(20-11-13)21-7-1-2-8-21/h3-6,11-12,18H,1-2,7-8,10H2
InChIKeyJMFFHFNTOJKUJH-UHFFFAOYSA-N
XLogP2.56
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(6-methyl-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 104739555
5-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile
CID 133358839
5-[(6-methyl-3-pyridinyl)methylamino]pyridine-2-carbonitrile
CID 79839878
2-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-6-fluorobenzonitrile
CID 60504847
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-bromopyridin-3-amine
CID 133317555
2-bromo-4-[[(6-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]phenol
CID 63046580
5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]pyridine-2-carbonitrile
CID 133358833
3-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 56815452
3-chloro-5-[(6-piperidin-1-yl-3-pyridinyl)methylamino]-1,2-thiazole-4-carbonitrile
CID 56796844
N-[(3-methylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689504
N-ethyl-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689606
N-[(1-ethylpyrazol-4-yl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 103823647

Frequently Asked Questions

What is the IUPAC name of 5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridine-2-carbonitrile (CID 133335271) is 5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridine-2-carbonitrile is N#Cc1ccc(NCc2ccc(N3CCCC3)nc2)cn1.
What is the InChIKey of 5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridine-2-carbonitrile?
The InChIKey is JMFFHFNTOJKUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c17-9-14-4-5-15(12-19-14)18-10-13-3-6-16(20-11-13)21-7-1-2-8-21/h3-6,11-12,18H,1-2,7-8,10H2.
What are the key properties of 5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridine-2-carbonitrile?
5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridine-2-carbonitrile has a molecular weight of 279.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 133335271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).