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

C14H15ClN4O2 — CID 53145306

IUPACN-(3-chloro-4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESCOc1ccc(NC(=O)N2CCc3nc[nH]c3C2)cc1Cl
InChIInChI=1S/C14H15ClN4O2/c1-21-13-3-2-9(6-10(13)15)18-14(20)19-5-4-11-12(7-19)17-8-16-11/h2-3,6,8H,4-5,7H2,1H3,(H,16,17)(H,18,20)
InChIKeyLXJDDRHALKCQCK-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.66
Rot. Bonds2

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

N-(3-chloro-4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (PubChem CID 53145306) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
PubChem CID53145306
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESCOc1ccc(NC(=O)N2CCc3nc[nH]c3C2)cc1Cl
InChIInChI=1S/C14H15ClN4O2/c1-21-13-3-2-9(6-10(13)15)18-14(20)19-5-4-11-12(7-19)17-8-16-11/h2-3,6,8H,4-5,7H2,1H3,(H,16,17)(H,18,20)
InChIKeyLXJDDRHALKCQCK-UHFFFAOYSA-N
XLogP2.66
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (CID 53145306) is N-(3-chloro-4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is COc1ccc(NC(=O)N2CCc3nc[nH]c3C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The InChIKey is LXJDDRHALKCQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-21-13-3-2-9(6-10(13)15)18-14(20)19-5-4-11-12(7-19)17-8-16-11/h2-3,6,8H,4-5,7H2,1H3,(H,16,17)(H,18,20).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
N-(3-chloro-4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide has a molecular weight of 306.75 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 53145306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).