1-[4-[[2-(C,N-dimethylcarbonimidoyl)-4-pyridinyl]methyl]-2-pyridinyl]-N-methylethanimine

C17H20N4 — CID 170242634

IUPAC1-[4-[[2-(C,N-dimethylcarbonimidoyl)-4-pyridinyl]methyl]-2-pyridinyl]-N-methylethanimine
SMILESC/N=C(\C)c1cc(Cc2ccnc(/C(C)=N/C)c2)ccn1
InChIInChI=1S/C17H20N4/c1-12(18-3)16-10-14(5-7-20-16)9-15-6-8-21-17(11-15)13(2)19-4/h5-8,10-11H,9H2,1-4H3/b18-12+,19-13+
InChIKeyJTZLPSAUAZDUGU-KLCVKJMQSA-N
MW280.38 g/mol
LogP2.94
Rot. Bonds4

About 1-[4-[[2-(C,N-dimethylcarbonimidoyl)-4-pyridinyl]methyl]-2-pyridinyl]-N-methylethanimine

1-[4-[[2-(C,N-dimethylcarbonimidoyl)-4-pyridinyl]methyl]-2-pyridinyl]-N-methylethanimine (PubChem CID 170242634) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-[4-[[2-(C,N-dimethylcarbonimidoyl)-4-pyridinyl]methyl]-2-pyridinyl]-N-methylethanimine.

Molecular Properties

Compound Name1-[4-[[2-(C,N-dimethylcarbonimidoyl)-4-pyridinyl]methyl]-2-pyridinyl]-N-methylethanimine
PubChem CID170242634
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name1-[4-[[2-(C,N-dimethylcarbonimidoyl)-4-pyridinyl]methyl]-2-pyridinyl]-N-methylethanimine
SMILESC/N=C(\C)c1cc(Cc2ccnc(/C(C)=N/C)c2)ccn1
InChIInChI=1S/C17H20N4/c1-12(18-3)16-10-14(5-7-20-16)9-15-6-8-21-17(11-15)13(2)19-4/h5-8,10-11H,9H2,1-4H3/b18-12+,19-13+
InChIKeyJTZLPSAUAZDUGU-KLCVKJMQSA-N
XLogP2.94
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-pyridin-2-ylethanimine
CID 12970828
N-[[4-[(2-prop-1-en-2-yl-4-pyridinyl)methyl]phenyl]methyl]prop-1-en-2-amine
CID 144581577
1-isoquinolin-3-yl-N-methylethanimine
CID 162729378
1-[4-[(4-ethylphenyl)methyl]-2-pyridinyl]-N,N-dimethylethenamine
CID 144581566
N-[(Z)-1-[4-[(6-methyl-3-pyridinyl)methyl]-2-pyridinyl]prop-1-enyl]ethanimine
CID 170184580
1-(4-propyl-2-pyridinyl)ethanone
CID 23003444
4-[(4-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 66612711
4-(methylsulfanylmethyl)pyridine-2-carboxylic acid
CID 63884403
N-methyl-1-(5-methyl-2-pyridinyl)ethanimine
CID 123351090
4-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide
CID 59848916
methyl 4-(3-methoxy-3-oxopropyl)pyridine-2-carboxylate
CID 170989297
4-(aminooxymethyl)-N-methylpyridine-2-carboxamide
CID 142264154

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(C,N-dimethylcarbonimidoyl)-4-pyridinyl]methyl]-2-pyridinyl]-N-methylethanimine?
The IUPAC name of 1-[4-[[2-(C,N-dimethylcarbonimidoyl)-4-pyridinyl]methyl]-2-pyridinyl]-N-methylethanimine (CID 170242634) is 1-[4-[[2-(C,N-dimethylcarbonimidoyl)-4-pyridinyl]methyl]-2-pyridinyl]-N-methylethanimine.
What is the SMILES notation for 1-[4-[[2-(C,N-dimethylcarbonimidoyl)-4-pyridinyl]methyl]-2-pyridinyl]-N-methylethanimine?
The canonical SMILES for 1-[4-[[2-(C,N-dimethylcarbonimidoyl)-4-pyridinyl]methyl]-2-pyridinyl]-N-methylethanimine is C/N=C(\C)c1cc(Cc2ccnc(/C(C)=N/C)c2)ccn1.
What is the InChIKey of 1-[4-[[2-(C,N-dimethylcarbonimidoyl)-4-pyridinyl]methyl]-2-pyridinyl]-N-methylethanimine?
The InChIKey is JTZLPSAUAZDUGU-KLCVKJMQSA-N. The full InChI is InChI=1S/C17H20N4/c1-12(18-3)16-10-14(5-7-20-16)9-15-6-8-21-17(11-15)13(2)19-4/h5-8,10-11H,9H2,1-4H3/b18-12+,19-13+.
What are the key properties of 1-[4-[[2-(C,N-dimethylcarbonimidoyl)-4-pyridinyl]methyl]-2-pyridinyl]-N-methylethanimine?
1-[4-[[2-(C,N-dimethylcarbonimidoyl)-4-pyridinyl]methyl]-2-pyridinyl]-N-methylethanimine has a molecular weight of 280.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(C,N-dimethylcarbonimidoyl)-4-pyridinyl]methyl]-2-pyridinyl]-N-methylethanimine is sourced from PubChem (CID 170242634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).