3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile

C15H16N4 — CID 114287739

IUPAC3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile
SMILESCCN(Cc1cccc(C)n1)c1cnccc1C#N
InChIInChI=1S/C15H16N4/c1-3-19(11-14-6-4-5-12(2)18-14)15-10-17-8-7-13(15)9-16/h4-8,10H,3,11H2,1-2H3
InChIKeyAMIORPXUEWUJHZ-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.68
Rot. Bonds4

About 3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile

3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile (PubChem CID 114287739) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile
PubChem CID114287739
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile
SMILESCCN(Cc1cccc(C)n1)c1cnccc1C#N
InChIInChI=1S/C15H16N4/c1-3-19(11-14-6-4-5-12(2)18-14)15-10-17-8-7-13(15)9-16/h4-8,10H,3,11H2,1-2H3
InChIKeyAMIORPXUEWUJHZ-UHFFFAOYSA-N
XLogP2.68
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile
CID 114287741
2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbonitrile
CID 107544861
(1S)-1-[5-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-pyridinyl]ethanol
CID 83131657
N,N-bis[(6-methyl-2-pyridinyl)methyl]-1-pyridin-3-ylmethanamine
CID 84591264
2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2,5-diamine
CID 80652405
3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]benzoic acid
CID 102823192
6-[(1R)-1-aminoethyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-3-amine
CID 83128125
2-N,6-N-diethyl-2-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2,6-diamine
CID 80852067
2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbothioamide
CID 107547773
3,5,6-trichloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 102751537
3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridazine-4-carboxylic acid
CID 80517126
4-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3-methylbenzonitrile
CID 114481266

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile?
The IUPAC name of 3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile (CID 114287739) is 3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile is CCN(Cc1cccc(C)n1)c1cnccc1C#N.
What is the InChIKey of 3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile?
The InChIKey is AMIORPXUEWUJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-3-19(11-14-6-4-5-12(2)18-14)15-10-17-8-7-13(15)9-16/h4-8,10H,3,11H2,1-2H3.
What are the key properties of 3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile?
3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile is sourced from PubChem (CID 114287739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).