2-methanimidoyl-4-(methylaminomethyl)aniline;N-methylethanamine;2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarbaldehyde

C26H31N7O2 — CID 143716933

IUPAC2-methanimidoyl-4-(methylaminomethyl)aniline;N-methylethanamine;2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarbaldehyde
SMILESCCNC.O=Cc1cccn2c(C=O)c(-c3ccccn3)nc12.[H]/N=C/c1cc(CNC)ccc1N
InChIInChI=1S/C14H9N3O2.C9H13N3.C3H9N/c18-8-10-4-3-7-17-12(9-19)13(16-14(10)17)11-5-1-2-6-15-11;1-12-6-7-2-3-9(11)8(4-7)5-10;1-3-4-2/h1-9H;2-5,10,12H,6,11H2,1H3;4H,3H2,1-2H3/b;10-5+;
InChIKeyPRAFEBVOJXKZLU-ATWZUJJXSA-N
MW473.58 g/mol
LogP3.23
Rot. Bonds7

About 2-methanimidoyl-4-(methylaminomethyl)aniline;N-methylethanamine;2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarbaldehyde

2-methanimidoyl-4-(methylaminomethyl)aniline;N-methylethanamine;2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarbaldehyde (PubChem CID 143716933) has the molecular formula C26H31N7O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is 2-methanimidoyl-4-(methylaminomethyl)aniline;N-methylethanamine;2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarbaldehyde.

Molecular Properties

Compound Name2-methanimidoyl-4-(methylaminomethyl)aniline;N-methylethanamine;2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarbaldehyde
PubChem CID143716933
Molecular FormulaC26H31N7O2
Molecular Weight473.58 g/mol
Exact Mass473.25
IUPAC Name2-methanimidoyl-4-(methylaminomethyl)aniline;N-methylethanamine;2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarbaldehyde
SMILESCCNC.O=Cc1cccn2c(C=O)c(-c3ccccn3)nc12.[H]/N=C/c1cc(CNC)ccc1N
InChIInChI=1S/C14H9N3O2.C9H13N3.C3H9N/c18-8-10-4-3-7-17-12(9-19)13(16-14(10)17)11-5-1-2-6-15-11;1-12-6-7-2-3-9(11)8(4-7)5-10;1-3-4-2/h1-9H;2-5,10,12H,6,11H2,1H3;4H,3H2,1-2H3/b;10-5+;
InChIKeyPRAFEBVOJXKZLU-ATWZUJJXSA-N
XLogP3.23
TPSA138.26 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-amino-3-methanimidoylphenyl)methyl]-2-chloropyrimidin-4-amine
CID 163891313
3-formyl-N-[[2-(methylamino)-1,3-benzothiazol-6-yl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-8-carboxamide;5-methylhexan-1-ol;N-methylmethanamine
CID 143716987
4-(aminomethyl)-2-methanimidoylaniline;ethane
CID 143089869
3-amino-2-methylimidazo[1,2-a]pyridine-8-carbaldehyde
CID 96630352
5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde;2-methanimidoyl-4-N-methylbenzene-1,4-diamine
CID 145078642
2-methanimidoyl-5-propylaniline
CID 143067906
5-(4-amino-3-methanimidoylphenyl)-6-(3-propylphenyl)pyridin-3-amine
CID 123380813
ethylbenzene;pyridin-2-ylmethanimine
CID 174801514
8-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
CID 82529168
8-methyl-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 82529082
2-(4-ethoxy-2,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde
CID 82135013
5-propyl-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521270

Frequently Asked Questions

What is the IUPAC name of 2-methanimidoyl-4-(methylaminomethyl)aniline;N-methylethanamine;2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarbaldehyde?
The IUPAC name of 2-methanimidoyl-4-(methylaminomethyl)aniline;N-methylethanamine;2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarbaldehyde (CID 143716933) is 2-methanimidoyl-4-(methylaminomethyl)aniline;N-methylethanamine;2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarbaldehyde.
What is the SMILES notation for 2-methanimidoyl-4-(methylaminomethyl)aniline;N-methylethanamine;2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarbaldehyde?
The canonical SMILES for 2-methanimidoyl-4-(methylaminomethyl)aniline;N-methylethanamine;2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarbaldehyde is CCNC.O=Cc1cccn2c(C=O)c(-c3ccccn3)nc12.[H]/N=C/c1cc(CNC)ccc1N.
What is the InChIKey of 2-methanimidoyl-4-(methylaminomethyl)aniline;N-methylethanamine;2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarbaldehyde?
The InChIKey is PRAFEBVOJXKZLU-ATWZUJJXSA-N. The full InChI is InChI=1S/C14H9N3O2.C9H13N3.C3H9N/c18-8-10-4-3-7-17-12(9-19)13(16-14(10)17)11-5-1-2-6-15-11;1-12-6-7-2-3-9(11)8(4-7)5-10;1-3-4-2/h1-9H;2-5,10,12H,6,11H2,1H3;4H,3H2,1-2H3/b;10-5+;.
What are the key properties of 2-methanimidoyl-4-(methylaminomethyl)aniline;N-methylethanamine;2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarbaldehyde?
2-methanimidoyl-4-(methylaminomethyl)aniline;N-methylethanamine;2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarbaldehyde has a molecular weight of 473.58 g/mol, XLogP of 3.23, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-4-(methylaminomethyl)aniline;N-methylethanamine;2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarbaldehyde is sourced from PubChem (CID 143716933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).