N-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide

C8H12N4O — CID 21330722

IUPACN-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESCNC(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C8H12N4O/c1-9-8(13)12-3-2-6-7(4-12)11-5-10-6/h5H,2-4H2,1H3,(H,9,13)(H,10,11)
InChIKeyDHIKRKWROKNFIU-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.11
Rot. Bonds

About N-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide

N-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (PubChem CID 21330722) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is N-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
PubChem CID21330722
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC NameN-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESCNC(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C8H12N4O/c1-9-8(13)12-3-2-6-7(4-12)11-5-10-6/h5H,2-4H2,1H3,(H,9,13)(H,10,11)
InChIKeyDHIKRKWROKNFIU-UHFFFAOYSA-N
XLogP0.11
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of N-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (CID 21330722) is N-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for N-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for N-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is CNC(=O)N1CCc2nc[nH]c2C1.
What is the InChIKey of N-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The InChIKey is DHIKRKWROKNFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-9-8(13)12-3-2-6-7(4-12)11-5-10-6/h5H,2-4H2,1H3,(H,9,13)(H,10,11).
What are the key properties of N-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
N-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 21330722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).