N-(4-bromo-3-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide

C18H16BrN3O3 — CID 22425470

IUPACN-(4-bromo-3-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
SMILES[H]/N=c1\oc2c(C)ncc(CO)c2cc1C(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C18H16BrN3O3/c1-9-5-12(3-4-15(9)19)22-18(24)14-6-13-11(8-23)7-21-10(2)16(13)25-17(14)20/h3-7,20,23H,8H2,1-2H3,(H,22,24)/b20-17-
InChIKeySOOKXIWWKYOUNP-JZJYNLBNSA-N
MW402.25 g/mol
LogP3.43
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide

N-(4-bromo-3-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide (PubChem CID 22425470) has the molecular formula C18H16BrN3O3 and a molecular weight of 402.25 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
PubChem CID22425470
Molecular FormulaC18H16BrN3O3
Molecular Weight402.25 g/mol
Exact Mass401.04
IUPAC NameN-(4-bromo-3-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
SMILES[H]/N=c1\oc2c(C)ncc(CO)c2cc1C(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C18H16BrN3O3/c1-9-5-12(3-4-15(9)19)22-18(24)14-6-13-11(8-23)7-21-10(2)16(13)25-17(14)20/h3-7,20,23H,8H2,1-2H3,(H,22,24)/b20-17-
InChIKeySOOKXIWWKYOUNP-JZJYNLBNSA-N
XLogP3.43
TPSA99.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(4-bromo-3-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-3-methylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
CID 46507644
(2E)-N-(4-bromo-3-methylphenyl)-2-hydroxyimino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 136806736
5-(hydroxymethyl)-2-imino-8-methyl-N-[4-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide
CID 4608916
N-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 22425475
N-(3,4-dimethylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
CID 4088801
5-(hydroxymethyl)-2-imino-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 4280863
N-(4-bromophenyl)-2-(4-fluorophenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 4139764
N-(4-bromophenyl)-2-(3-fluoro-4-methylphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 4142357
N-(4-bromophenyl)-5-(hydroxymethyl)-2-(2-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 4142465
2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide
CID 3270511
N-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
CID 22425488
2-(4-ethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide
CID 5057442

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide (CID 22425470) is N-(4-bromo-3-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide is [H]/N=c1\oc2c(C)ncc(CO)c2cc1C(=O)Nc1ccc(Br)c(C)c1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
The InChIKey is SOOKXIWWKYOUNP-JZJYNLBNSA-N. The full InChI is InChI=1S/C18H16BrN3O3/c1-9-5-12(3-4-15(9)19)22-18(24)14-6-13-11(8-23)7-21-10(2)16(13)25-17(14)20/h3-7,20,23H,8H2,1-2H3,(H,22,24)/b20-17-.
What are the key properties of N-(4-bromo-3-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
N-(4-bromo-3-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide has a molecular weight of 402.25 g/mol, XLogP of 3.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 22425470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).