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

C13H18N4 — CID 106619532

IUPAC5-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
SMILESCCN(CC1CCCN1)c1ccc(C#N)nc1
InChIInChI=1S/C13H18N4/c1-2-17(10-12-4-3-7-15-12)13-6-5-11(8-14)16-9-13/h5-6,9,12,15H,2-4,7,10H2,1H3
InChIKeyVZGQUWREUOKXJO-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.53
Rot. Bonds4

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

5-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile (PubChem CID 106619532) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
PubChem CID106619532
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name5-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
SMILESCCN(CC1CCCN1)c1ccc(C#N)nc1
InChIInChI=1S/C13H18N4/c1-2-17(10-12-4-3-7-15-12)13-6-5-11(8-14)16-9-13/h5-6,9,12,15H,2-4,7,10H2,1H3
InChIKeyVZGQUWREUOKXJO-UHFFFAOYSA-N
XLogP1.53
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 106620212
5-[piperidin-2-ylmethyl(propyl)amino]pyridine-2-carbonitrile
CID 106642589
5-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 106621125
6-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 106619350
6-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide
CID 106608168
2-[propyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107552774
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-4-methylpyridine-3-carbonitrile
CID 106619252
3-[ethyl(piperidin-2-ylmethyl)amino]pyridazine-4-carbonitrile
CID 106641792
2-[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]-4-methoxypyrimidine-5-carbonitrile
CID 144983920
N-(azocan-2-ylmethyl)-N-ethylaniline
CID 114240324
N-ethyl-6-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106619421
2-[ethyl(piperidin-2-ylmethyl)amino]-5-nitropyridine-3-carbonitrile
CID 106641549

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile (CID 106619532) is 5-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile is CCN(CC1CCCN1)c1ccc(C#N)nc1.
What is the InChIKey of 5-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile?
The InChIKey is VZGQUWREUOKXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-2-17(10-12-4-3-7-15-12)13-6-5-11(8-14)16-9-13/h5-6,9,12,15H,2-4,7,10H2,1H3.
What are the key properties of 5-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile?
5-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 106619532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).