N-[(3-hydroxyphenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

C15H18N4O2 — CID 79352302

IUPACN-[(3-hydroxyphenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C15H18N4O2/c1-19(8-10-3-2-4-11(20)5-10)15(21)13-6-12-14(7-16-13)18-9-17-12/h2-5,9,13,16,20H,6-8H2,1H3,(H,17,18)
InChIKeyFWXQFCNOLVLCFD-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.79
Rot. Bonds3

About N-[(3-hydroxyphenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

N-[(3-hydroxyphenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 79352302) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID79352302
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-[(3-hydroxyphenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C15H18N4O2/c1-19(8-10-3-2-4-11(20)5-10)15(21)13-6-12-14(7-16-13)18-9-17-12/h2-5,9,13,16,20H,6-8H2,1H3,(H,17,18)
InChIKeyFWXQFCNOLVLCFD-UHFFFAOYSA-N
XLogP0.79
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 79352302) is N-[(3-hydroxyphenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is CN(Cc1cccc(O)c1)C(=O)C1Cc2nc[nH]c2CN1.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is FWXQFCNOLVLCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-19(8-10-3-2-4-11(20)5-10)15(21)13-6-12-14(7-16-13)18-9-17-12/h2-5,9,13,16,20H,6-8H2,1H3,(H,17,18).
What are the key properties of N-[(3-hydroxyphenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
N-[(3-hydroxyphenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 79352302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).