5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile

C15H20N4 — CID 106620212

IUPAC5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(N(CC2CC2)CC2CCCN2)cn1
InChIInChI=1S/C15H20N4/c16-8-13-5-6-15(9-18-13)19(10-12-3-4-12)11-14-2-1-7-17-14/h5-6,9,12,14,17H,1-4,7,10-11H2
InChIKeyPPXDGZTUBZOLIO-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.92
Rot. Bonds5

About 5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile

5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile (PubChem CID 106620212) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
PubChem CID106620212
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(N(CC2CC2)CC2CCCN2)cn1
InChIInChI=1S/C15H20N4/c16-8-13-5-6-15(9-18-13)19(10-12-3-4-12)11-14-2-1-7-17-14/h5-6,9,12,14,17H,1-4,7,10-11H2
InChIKeyPPXDGZTUBZOLIO-UHFFFAOYSA-N
XLogP1.92
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 106619532
5-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 106621125
5-[piperidin-2-ylmethyl(propyl)amino]pyridine-2-carbonitrile
CID 106642589
3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-fluorobenzonitrile
CID 106620098
6-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide
CID 106608168
6-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 106619350
2-[propyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107552774
5-[(2S)-pyrrolidin-2-yl]pyridine-2-carbonitrile
CID 55274675
4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbenzamide
CID 106620002
5-piperidin-2-ylpyridine-2-carbonitrile
CID 55271438
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-4-methylpyridine-3-carbonitrile
CID 106619252
5-[[(2S)-azetidin-2-yl]methoxy]pyridine-2-carbonitrile
CID 21345216

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile (CID 106620212) is 5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile is N#Cc1ccc(N(CC2CC2)CC2CCCN2)cn1.
What is the InChIKey of 5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile?
The InChIKey is PPXDGZTUBZOLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c16-8-13-5-6-15(9-18-13)19(10-12-3-4-12)11-14-2-1-7-17-14/h5-6,9,12,14,17H,1-4,7,10-11H2.
What are the key properties of 5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile?
5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile has a molecular weight of 256.35 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 106620212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).