(Z)-3-methylimino-2-[(3S)-3-[[2-(6-methyl-3-pyridinyl)ethylamino]methyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl]prop-1-en-1-amine

C20H27N7 — CID 176991225

IUPAC(Z)-3-methylimino-2-[(3S)-3-[[2-(6-methyl-3-pyridinyl)ethylamino]methyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl]prop-1-en-1-amine
SMILESC/N=C/C(=C\N)c1cnc2c(c1)NC[C@H](CNCCc1ccc(C)nc1)N2
InChIInChI=1S/C20H27N7/c1-14-3-4-15(9-24-14)5-6-23-12-18-13-25-19-7-16(11-26-20(19)27-18)17(8-21)10-22-2/h3-4,7-11,18,23,25H,5-6,12-13,21H2,1-2H3,(H,26,27)/b17-8+,22-10+/t18-/m0/s1
InChIKeyBIPAZDATPLAREJ-ZZXQFEICSA-N
MW365.49 g/mol
LogP1.82
Rot. Bonds7

About (Z)-3-methylimino-2-[(3S)-3-[[2-(6-methyl-3-pyridinyl)ethylamino]methyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl]prop-1-en-1-amine

(Z)-3-methylimino-2-[(3S)-3-[[2-(6-methyl-3-pyridinyl)ethylamino]methyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl]prop-1-en-1-amine (PubChem CID 176991225) has the molecular formula C20H27N7 and a molecular weight of 365.49 g/mol. Its IUPAC name is (Z)-3-methylimino-2-[(3S)-3-[[2-(6-methyl-3-pyridinyl)ethylamino]methyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-methylimino-2-[(3S)-3-[[2-(6-methyl-3-pyridinyl)ethylamino]methyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl]prop-1-en-1-amine
PubChem CID176991225
Molecular FormulaC20H27N7
Molecular Weight365.49 g/mol
Exact Mass365.23
IUPAC Name(Z)-3-methylimino-2-[(3S)-3-[[2-(6-methyl-3-pyridinyl)ethylamino]methyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl]prop-1-en-1-amine
SMILESC/N=C/C(=C\N)c1cnc2c(c1)NC[C@H](CNCCc1ccc(C)nc1)N2
InChIInChI=1S/C20H27N7/c1-14-3-4-15(9-24-14)5-6-23-12-18-13-25-19-7-16(11-26-20(19)27-18)17(8-21)10-22-2/h3-4,7-11,18,23,25H,5-6,12-13,21H2,1-2H3,(H,26,27)/b17-8+,22-10+/t18-/m0/s1
InChIKeyBIPAZDATPLAREJ-ZZXQFEICSA-N
XLogP1.82
TPSA100.25 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.49
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (Z)-3-methylimino-2-[(3S)-3-[[2-(6-methyl-3-pyridinyl)ethylamino]methyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl]prop-1-en-1-amine with MolForge

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Related Compounds

4-[2-[[7-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]ethyl]benzonitrile;benzene
CID 176991721
4-[2-[[(3S)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl]methylamino]ethyl]benzonitrile
CID 176991303
2-[4-phenylmethoxy-3-[2-[[(3S)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl]methylamino]ethyl]phenyl]acetic acid
CID 176991790
4-[[6-(1-amino-3-methyliminoprop-1-en-2-yl)-3-pyridinyl]methyl]-5-methyl-N-(oxan-4-yl)-6-pyrazol-1-ylpyridine-2-carboxamide
CID 159697043
4-[2-[[[7-[(Z)-3-methylimino-1-phosphanylprop-1-en-2-yl]-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-yl]-phenylmethyl]amino]ethyl]benzonitrile
CID 176991302
N-[2-(6-methyl-3-pyridinyl)ethyl]thietan-3-amine
CID 170899632
2-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]-3-(2-phenylethyl)guanidine
CID 111834921
2-methyl-5-[2-(6-methylpiperidin-3-yl)ethyl]pyridine
CID 68812776
2-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106637852
1-(3-ethylphenyl)-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide
CID 111802467
2-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine
CID 111837708
2-(3,5-difluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104751434

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methylimino-2-[(3S)-3-[[2-(6-methyl-3-pyridinyl)ethylamino]methyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl]prop-1-en-1-amine?
The IUPAC name of (Z)-3-methylimino-2-[(3S)-3-[[2-(6-methyl-3-pyridinyl)ethylamino]methyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl]prop-1-en-1-amine (CID 176991225) is (Z)-3-methylimino-2-[(3S)-3-[[2-(6-methyl-3-pyridinyl)ethylamino]methyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl]prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-methylimino-2-[(3S)-3-[[2-(6-methyl-3-pyridinyl)ethylamino]methyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl]prop-1-en-1-amine?
The canonical SMILES for (Z)-3-methylimino-2-[(3S)-3-[[2-(6-methyl-3-pyridinyl)ethylamino]methyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl]prop-1-en-1-amine is C/N=C/C(=C\N)c1cnc2c(c1)NC[C@H](CNCCc1ccc(C)nc1)N2.
What is the InChIKey of (Z)-3-methylimino-2-[(3S)-3-[[2-(6-methyl-3-pyridinyl)ethylamino]methyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl]prop-1-en-1-amine?
The InChIKey is BIPAZDATPLAREJ-ZZXQFEICSA-N. The full InChI is InChI=1S/C20H27N7/c1-14-3-4-15(9-24-14)5-6-23-12-18-13-25-19-7-16(11-26-20(19)27-18)17(8-21)10-22-2/h3-4,7-11,18,23,25H,5-6,12-13,21H2,1-2H3,(H,26,27)/b17-8+,22-10+/t18-/m0/s1.
What are the key properties of (Z)-3-methylimino-2-[(3S)-3-[[2-(6-methyl-3-pyridinyl)ethylamino]methyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl]prop-1-en-1-amine?
(Z)-3-methylimino-2-[(3S)-3-[[2-(6-methyl-3-pyridinyl)ethylamino]methyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl]prop-1-en-1-amine has a molecular weight of 365.49 g/mol, XLogP of 1.82, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methylimino-2-[(3S)-3-[[2-(6-methyl-3-pyridinyl)ethylamino]methyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl]prop-1-en-1-amine is sourced from PubChem (CID 176991225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).