N-(2,5-dichloro-4-methylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

C14H14Cl2N4O — CID 104727113

IUPACN-(2,5-dichloro-4-methylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCc1cc(Cl)c(NC(=O)C2Cc3nc[nH]c3CN2)cc1Cl
InChIInChI=1S/C14H14Cl2N4O/c1-7-2-9(16)10(3-8(7)15)20-14(21)12-4-11-13(5-17-12)19-6-18-11/h2-3,6,12,17H,4-5H2,1H3,(H,18,19)(H,20,21)
InChIKeyPAWMEHWSXFPLTB-UHFFFAOYSA-N
MW325.20 g/mol
LogP2.68
Rot. Bonds2

About N-(2,5-dichloro-4-methylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

N-(2,5-dichloro-4-methylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 104727113) has the molecular formula C14H14Cl2N4O and a molecular weight of 325.20 g/mol. Its IUPAC name is N-(2,5-dichloro-4-methylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichloro-4-methylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID104727113
Molecular FormulaC14H14Cl2N4O
Molecular Weight325.20 g/mol
Exact Mass324.05
IUPAC NameN-(2,5-dichloro-4-methylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCc1cc(Cl)c(NC(=O)C2Cc3nc[nH]c3CN2)cc1Cl
InChIInChI=1S/C14H14Cl2N4O/c1-7-2-9(16)10(3-8(7)15)20-14(21)12-4-11-13(5-17-12)19-6-18-11/h2-3,6,12,17H,4-5H2,1H3,(H,18,19)(H,20,21)
InChIKeyPAWMEHWSXFPLTB-UHFFFAOYSA-N
XLogP2.68
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloro-4-methylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-(2,5-dichloro-4-methylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 104727113) is N-(2,5-dichloro-4-methylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-(2,5-dichloro-4-methylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-(2,5-dichloro-4-methylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is Cc1cc(Cl)c(NC(=O)C2Cc3nc[nH]c3CN2)cc1Cl.
What is the InChIKey of N-(2,5-dichloro-4-methylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is PAWMEHWSXFPLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O/c1-7-2-9(16)10(3-8(7)15)20-14(21)12-4-11-13(5-17-12)19-6-18-11/h2-3,6,12,17H,4-5H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-(2,5-dichloro-4-methylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
N-(2,5-dichloro-4-methylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 325.20 g/mol, XLogP of 2.68, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloro-4-methylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 104727113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).