4-[ethyl(pyrrolidin-2-ylmethyl)amino]cinnoline-3-carbonitrile

C16H19N5 — CID 106619154

IUPAC4-[ethyl(pyrrolidin-2-ylmethyl)amino]cinnoline-3-carbonitrile
SMILESCCN(CC1CCCN1)c1c(C#N)nnc2ccccc12
InChIInChI=1S/C16H19N5/c1-2-21(11-12-6-5-9-18-12)16-13-7-3-4-8-14(13)19-20-15(16)10-17/h3-4,7-8,12,18H,2,5-6,9,11H2,1H3
InChIKeyZEGUZWZBNDSOMY-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.08
Rot. Bonds4

About 4-[ethyl(pyrrolidin-2-ylmethyl)amino]cinnoline-3-carbonitrile

4-[ethyl(pyrrolidin-2-ylmethyl)amino]cinnoline-3-carbonitrile (PubChem CID 106619154) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[ethyl(pyrrolidin-2-ylmethyl)amino]cinnoline-3-carbonitrile.

Molecular Properties

Compound Name4-[ethyl(pyrrolidin-2-ylmethyl)amino]cinnoline-3-carbonitrile
PubChem CID106619154
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name4-[ethyl(pyrrolidin-2-ylmethyl)amino]cinnoline-3-carbonitrile
SMILESCCN(CC1CCCN1)c1c(C#N)nnc2ccccc12
InChIInChI=1S/C16H19N5/c1-2-21(11-12-6-5-9-18-12)16-13-7-3-4-8-14(13)19-20-15(16)10-17/h3-4,7-8,12,18H,2,5-6,9,11H2,1H3
InChIKeyZEGUZWZBNDSOMY-UHFFFAOYSA-N
XLogP2.08
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[methyl(piperidin-3-yl)amino]cinnoline-3-carbonitrile
CID 64900506
6-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 106619350
5-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 106619532
3-[ethyl(piperidin-2-ylmethyl)amino]pyridazine-4-carbonitrile
CID 106641792
N-butyl-N-(pyrrolidin-2-ylmethyl)-2,1-benzothiazol-3-amine
CID 106620444
4-[(2-methylpiperidin-3-yl)amino]cinnoline-3-carbonitrile
CID 114695438
N-ethyl-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 28598067
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-4-methylpyridine-3-carbonitrile
CID 106619252
N-ethyl-2-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 102819482
N-(azocan-2-ylmethyl)-N-ethylaniline
CID 114240324
N-ethyl-6-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106619421
3-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 106618513

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(pyrrolidin-2-ylmethyl)amino]cinnoline-3-carbonitrile?
The IUPAC name of 4-[ethyl(pyrrolidin-2-ylmethyl)amino]cinnoline-3-carbonitrile (CID 106619154) is 4-[ethyl(pyrrolidin-2-ylmethyl)amino]cinnoline-3-carbonitrile.
What is the SMILES notation for 4-[ethyl(pyrrolidin-2-ylmethyl)amino]cinnoline-3-carbonitrile?
The canonical SMILES for 4-[ethyl(pyrrolidin-2-ylmethyl)amino]cinnoline-3-carbonitrile is CCN(CC1CCCN1)c1c(C#N)nnc2ccccc12.
What is the InChIKey of 4-[ethyl(pyrrolidin-2-ylmethyl)amino]cinnoline-3-carbonitrile?
The InChIKey is ZEGUZWZBNDSOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-2-21(11-12-6-5-9-18-12)16-13-7-3-4-8-14(13)19-20-15(16)10-17/h3-4,7-8,12,18H,2,5-6,9,11H2,1H3.
What are the key properties of 4-[ethyl(pyrrolidin-2-ylmethyl)amino]cinnoline-3-carbonitrile?
4-[ethyl(pyrrolidin-2-ylmethyl)amino]cinnoline-3-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(pyrrolidin-2-ylmethyl)amino]cinnoline-3-carbonitrile is sourced from PubChem (CID 106619154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).