(Z)-1-(2-methyl-1,2-dihydropyridin-6-yl)-2-(2-methyl-1H-pyridin-2-yl)-2-(prop-2-enylideneamino)ethenamine

C17H22N4 — CID 67679251

IUPAC(Z)-1-(2-methyl-1,2-dihydropyridin-6-yl)-2-(2-methyl-1H-pyridin-2-yl)-2-(prop-2-enylideneamino)ethenamine
SMILESC=C/C=N/C(=C(\N)C1=CC=CC(C)N1)C1(C)C=CC=CN1
InChIInChI=1S/C17H22N4/c1-4-11-19-16(17(3)10-5-6-12-20-17)15(18)14-9-7-8-13(2)21-14/h4-13,20-21H,1,18H2,2-3H3/b16-15-,19-11+
InChIKeyBPNKBHFILZMKNZ-SSLPNJJKSA-N
MW282.39 g/mol
LogP2.28
Rot. Bonds4

About (Z)-1-(2-methyl-1,2-dihydropyridin-6-yl)-2-(2-methyl-1H-pyridin-2-yl)-2-(prop-2-enylideneamino)ethenamine

(Z)-1-(2-methyl-1,2-dihydropyridin-6-yl)-2-(2-methyl-1H-pyridin-2-yl)-2-(prop-2-enylideneamino)ethenamine (PubChem CID 67679251) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is (Z)-1-(2-methyl-1,2-dihydropyridin-6-yl)-2-(2-methyl-1H-pyridin-2-yl)-2-(prop-2-enylideneamino)ethenamine.

Molecular Properties

Compound Name(Z)-1-(2-methyl-1,2-dihydropyridin-6-yl)-2-(2-methyl-1H-pyridin-2-yl)-2-(prop-2-enylideneamino)ethenamine
PubChem CID67679251
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name(Z)-1-(2-methyl-1,2-dihydropyridin-6-yl)-2-(2-methyl-1H-pyridin-2-yl)-2-(prop-2-enylideneamino)ethenamine
SMILESC=C/C=N/C(=C(\N)C1=CC=CC(C)N1)C1(C)C=CC=CN1
InChIInChI=1S/C17H22N4/c1-4-11-19-16(17(3)10-5-6-12-20-17)15(18)14-9-7-8-13(2)21-14/h4-13,20-21H,1,18H2,2-3H3/b16-15-,19-11+
InChIKeyBPNKBHFILZMKNZ-SSLPNJJKSA-N
XLogP2.28
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 173841405
CID 173841405
CID 19103933
CID 19103933
CID 137247967
CID 137247967
CID 141900444
CID 141900444
CID 142137606
CID 142137606
CID 142198854
CID 142198854
CID 143183552
CID 143183552
CID 143707398
CID 143707398
CID 144222170
CID 144222170
CID 144290727
CID 144290727
CID 144290754
CID 144290754
CID 144750353
CID 144750353

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2-methyl-1,2-dihydropyridin-6-yl)-2-(2-methyl-1H-pyridin-2-yl)-2-(prop-2-enylideneamino)ethenamine?
The IUPAC name of (Z)-1-(2-methyl-1,2-dihydropyridin-6-yl)-2-(2-methyl-1H-pyridin-2-yl)-2-(prop-2-enylideneamino)ethenamine (CID 67679251) is (Z)-1-(2-methyl-1,2-dihydropyridin-6-yl)-2-(2-methyl-1H-pyridin-2-yl)-2-(prop-2-enylideneamino)ethenamine.
What is the SMILES notation for (Z)-1-(2-methyl-1,2-dihydropyridin-6-yl)-2-(2-methyl-1H-pyridin-2-yl)-2-(prop-2-enylideneamino)ethenamine?
The canonical SMILES for (Z)-1-(2-methyl-1,2-dihydropyridin-6-yl)-2-(2-methyl-1H-pyridin-2-yl)-2-(prop-2-enylideneamino)ethenamine is C=C/C=N/C(=C(\N)C1=CC=CC(C)N1)C1(C)C=CC=CN1.
What is the InChIKey of (Z)-1-(2-methyl-1,2-dihydropyridin-6-yl)-2-(2-methyl-1H-pyridin-2-yl)-2-(prop-2-enylideneamino)ethenamine?
The InChIKey is BPNKBHFILZMKNZ-SSLPNJJKSA-N. The full InChI is InChI=1S/C17H22N4/c1-4-11-19-16(17(3)10-5-6-12-20-17)15(18)14-9-7-8-13(2)21-14/h4-13,20-21H,1,18H2,2-3H3/b16-15-,19-11+.
What are the key properties of (Z)-1-(2-methyl-1,2-dihydropyridin-6-yl)-2-(2-methyl-1H-pyridin-2-yl)-2-(prop-2-enylideneamino)ethenamine?
(Z)-1-(2-methyl-1,2-dihydropyridin-6-yl)-2-(2-methyl-1H-pyridin-2-yl)-2-(prop-2-enylideneamino)ethenamine has a molecular weight of 282.39 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-methyl-1,2-dihydropyridin-6-yl)-2-(2-methyl-1H-pyridin-2-yl)-2-(prop-2-enylideneamino)ethenamine is sourced from PubChem (CID 67679251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).