N-(1-methoxypropan-2-yl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

C12H20N4O2 — CID 79353693

IUPACN-(1-methoxypropan-2-yl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCOCC(C)N(C)C(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C12H20N4O2/c1-8(6-18-3)16(2)12(17)10-4-9-11(5-13-10)15-7-14-9/h7-8,10,13H,4-6H2,1-3H3,(H,14,15)
InChIKeyBRZQYIAFJXRUGU-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.08
Rot. Bonds4

About N-(1-methoxypropan-2-yl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

N-(1-methoxypropan-2-yl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 79353693) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID79353693
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-(1-methoxypropan-2-yl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCOCC(C)N(C)C(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C12H20N4O2/c1-8(6-18-3)16(2)12(17)10-4-9-11(5-13-10)15-7-14-9/h7-8,10,13H,4-6H2,1-3H3,(H,14,15)
InChIKeyBRZQYIAFJXRUGU-UHFFFAOYSA-N
XLogP-0.08
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 79353693) is N-(1-methoxypropan-2-yl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is COCC(C)N(C)C(=O)C1Cc2nc[nH]c2CN1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is BRZQYIAFJXRUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8(6-18-3)16(2)12(17)10-4-9-11(5-13-10)15-7-14-9/h7-8,10,13H,4-6H2,1-3H3,(H,14,15).
What are the key properties of N-(1-methoxypropan-2-yl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
N-(1-methoxypropan-2-yl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 252.32 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 79353693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).