4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile

C16H24N4 — CID 106616666

IUPAC4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile
SMILESCCCCN(Cc1ccnc(C#N)c1)CC1CCCN1
InChIInChI=1S/C16H24N4/c1-2-3-9-20(13-15-5-4-7-18-15)12-14-6-8-19-16(10-14)11-17/h6,8,10,15,18H,2-5,7,9,12-13H2,1H3
InChIKeyHPOOTOYOOPXEBD-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.31
Rot. Bonds7

About 4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile

4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile (PubChem CID 106616666) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile
PubChem CID106616666
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile
SMILESCCCCN(Cc1ccnc(C#N)c1)CC1CCCN1
InChIInChI=1S/C16H24N4/c1-2-3-9-20(13-15-5-4-7-18-15)12-14-6-8-19-16(10-14)11-17/h6,8,10,15,18H,2-5,7,9,12-13H2,1H3
InChIKeyHPOOTOYOOPXEBD-UHFFFAOYSA-N
XLogP2.31
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604779
4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 106604712
N-(2-pyridin-4-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616617
4-[[ethyl(piperidin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 106638546
2-methoxy-4-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]benzonitrile
CID 106792877
2-[propyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107552774
2-[(2-chloro-4-pyridinyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618047
N-[(2-methoxy-3-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616975
N-[(5-iodo-1,3-thiazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 112755518
4-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carbonitrile
CID 63880798
4-[[cyclopropyl(propyl)amino]methyl]pyridine-2-carbonitrile
CID 63883631
2-[butyl(pyrrolidin-2-ylmethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107552777

Frequently Asked Questions

What is the IUPAC name of 4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile (CID 106616666) is 4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile is CCCCN(Cc1ccnc(C#N)c1)CC1CCCN1.
What is the InChIKey of 4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile?
The InChIKey is HPOOTOYOOPXEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-2-3-9-20(13-15-5-4-7-18-15)12-14-6-8-19-16(10-14)11-17/h6,8,10,15,18H,2-5,7,9,12-13H2,1H3.
What are the key properties of 4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile?
4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile has a molecular weight of 272.40 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 106616666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).