N-(5-chloro-2,4-dimethoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide

C15H17ClN4O3 — CID 53145267

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESCOc1cc(OC)c(NC(=O)N2CCc3nc[nH]c3C2)cc1Cl
InChIInChI=1S/C15H17ClN4O3/c1-22-13-6-14(23-2)11(5-9(13)16)19-15(21)20-4-3-10-12(7-20)18-8-17-10/h5-6,8H,3-4,7H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyJDDKNQRKDOBDKG-UHFFFAOYSA-N
MW336.78 g/mol
LogP2.67
Rot. Bonds3

About N-(5-chloro-2,4-dimethoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide

N-(5-chloro-2,4-dimethoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (PubChem CID 53145267) has the molecular formula C15H17ClN4O3 and a molecular weight of 336.78 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
PubChem CID53145267
Molecular FormulaC15H17ClN4O3
Molecular Weight336.78 g/mol
Exact Mass336.10
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESCOc1cc(OC)c(NC(=O)N2CCc3nc[nH]c3C2)cc1Cl
InChIInChI=1S/C15H17ClN4O3/c1-22-13-6-14(23-2)11(5-9(13)16)19-15(21)20-4-3-10-12(7-20)18-8-17-10/h5-6,8H,3-4,7H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyJDDKNQRKDOBDKG-UHFFFAOYSA-N
XLogP2.67
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (CID 53145267) is N-(5-chloro-2,4-dimethoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is COc1cc(OC)c(NC(=O)N2CCc3nc[nH]c3C2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The InChIKey is JDDKNQRKDOBDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3/c1-22-13-6-14(23-2)11(5-9(13)16)19-15(21)20-4-3-10-12(7-20)18-8-17-10/h5-6,8H,3-4,7H2,1-2H3,(H,17,18)(H,19,21).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide has a molecular weight of 336.78 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 53145267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).