5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)-2-(3-methylphenyl)iminopyrano[2,3-c]pyridin-7-ium-3-carboxamide

C25H24N3O3+ — CID 135471717

IUPAC5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)-2-(3-methylphenyl)iminopyrano[2,3-c]pyridin-7-ium-3-carboxamide
SMILESCc1cccc(/N=c2\oc3c(C)[nH+]cc(CO)c3cc2C(=O)Nc2ccccc2C)c1
InChIInChI=1S/C25H23N3O3/c1-15-7-6-9-19(11-15)27-25-21(24(30)28-22-10-5-4-8-16(22)2)12-20-18(14-29)13-26-17(3)23(20)31-25/h4-13,29H,14H2,1-3H3,(H,28,30)/p+1/b27-25-
InChIKeyHQMOLDNDOXVREJ-RFBIWTDZSA-O
MW414.49 g/mol
LogP4.15
Rot. Bonds4

About 5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)-2-(3-methylphenyl)iminopyrano[2,3-c]pyridin-7-ium-3-carboxamide

5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)-2-(3-methylphenyl)iminopyrano[2,3-c]pyridin-7-ium-3-carboxamide (PubChem CID 135471717) has the molecular formula C25H24N3O3+ and a molecular weight of 414.49 g/mol. Its IUPAC name is 5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)-2-(3-methylphenyl)iminopyrano[2,3-c]pyridin-7-ium-3-carboxamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)-2-(3-methylphenyl)iminopyrano[2,3-c]pyridin-7-ium-3-carboxamide
PubChem CID135471717
Molecular FormulaC25H24N3O3+
Molecular Weight414.49 g/mol
Exact Mass414.18
IUPAC Name5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)-2-(3-methylphenyl)iminopyrano[2,3-c]pyridin-7-ium-3-carboxamide
SMILESCc1cccc(/N=c2\oc3c(C)[nH+]cc(CO)c3cc2C(=O)Nc2ccccc2C)c1
InChIInChI=1S/C25H23N3O3/c1-15-7-6-9-19(11-15)27-25-21(24(30)28-22-10-5-4-8-16(22)2)12-20-18(14-29)13-26-17(3)23(20)31-25/h4-13,29H,14H2,1-3H3,(H,28,30)/p+1/b27-25-
InChIKeyHQMOLDNDOXVREJ-RFBIWTDZSA-O
XLogP4.15
TPSA88.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)-2-(3-methylphenyl)iminopyrano[2,3-c]pyridin-7-ium-3-carboxamide with MolForge

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Related Compounds

2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)pyrano[2,3-c]pyridin-7-ium-3-carboxamide
CID 135498673
N-(2-ethylphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide
CID 5212498
ethyl 4-[[5-(hydroxymethyl)-3-[(2-methoxy-5-methylphenyl)carbamoyl]-8-methylpyrano[2,3-c]pyridin-7-ium-2-ylidene]amino]benzoate
CID 135505910
N-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide
CID 24761612
2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide
CID 3270511
5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide
CID 3444611
2-(4-ethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide
CID 5057442
[2-(3-chlorophenyl)imino-8-methyl-3-[(3-methylphenyl)carbamoyl]pyrano[2,3-c]pyridin-5-yl]methyl acetate
CID 4608915
N-(2-chlorophenyl)-5-(hydroxymethyl)-2-(2-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 4618044
N-(2-fluorophenyl)-5-(hydroxymethyl)-2-(2-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 5233830
2-(3-methylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367703
N-(2-methylphenyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide
CID 51367871

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)-2-(3-methylphenyl)iminopyrano[2,3-c]pyridin-7-ium-3-carboxamide?
The IUPAC name of 5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)-2-(3-methylphenyl)iminopyrano[2,3-c]pyridin-7-ium-3-carboxamide (CID 135471717) is 5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)-2-(3-methylphenyl)iminopyrano[2,3-c]pyridin-7-ium-3-carboxamide.
What is the SMILES notation for 5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)-2-(3-methylphenyl)iminopyrano[2,3-c]pyridin-7-ium-3-carboxamide?
The canonical SMILES for 5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)-2-(3-methylphenyl)iminopyrano[2,3-c]pyridin-7-ium-3-carboxamide is Cc1cccc(/N=c2\oc3c(C)[nH+]cc(CO)c3cc2C(=O)Nc2ccccc2C)c1.
What is the InChIKey of 5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)-2-(3-methylphenyl)iminopyrano[2,3-c]pyridin-7-ium-3-carboxamide?
The InChIKey is HQMOLDNDOXVREJ-RFBIWTDZSA-O. The full InChI is InChI=1S/C25H23N3O3/c1-15-7-6-9-19(11-15)27-25-21(24(30)28-22-10-5-4-8-16(22)2)12-20-18(14-29)13-26-17(3)23(20)31-25/h4-13,29H,14H2,1-3H3,(H,28,30)/p+1/b27-25-.
What are the key properties of 5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)-2-(3-methylphenyl)iminopyrano[2,3-c]pyridin-7-ium-3-carboxamide?
5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)-2-(3-methylphenyl)iminopyrano[2,3-c]pyridin-7-ium-3-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)-2-(3-methylphenyl)iminopyrano[2,3-c]pyridin-7-ium-3-carboxamide is sourced from PubChem (CID 135471717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).