1-methyl-N-(2-methyl-3-propan-2-ylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide

C18H24N4O — CID 167001250

IUPAC1-methyl-N-(2-methyl-3-propan-2-ylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide
SMILESCc1c(NC(=O)c2nc3c(n2C)CCNC3)cccc1C(C)C
InChIInChI=1S/C18H24N4O/c1-11(2)13-6-5-7-14(12(13)3)21-18(23)17-20-15-10-19-9-8-16(15)22(17)4/h5-7,11,19H,8-10H2,1-4H3,(H,21,23)
InChIKeyQYBBWLRLQAVFTD-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.75
Rot. Bonds3

About 1-methyl-N-(2-methyl-3-propan-2-ylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide

1-methyl-N-(2-methyl-3-propan-2-ylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 167001250) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-methyl-N-(2-methyl-3-propan-2-ylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-methyl-3-propan-2-ylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide
PubChem CID167001250
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-methyl-N-(2-methyl-3-propan-2-ylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide
SMILESCc1c(NC(=O)c2nc3c(n2C)CCNC3)cccc1C(C)C
InChIInChI=1S/C18H24N4O/c1-11(2)13-6-5-7-14(12(13)3)21-18(23)17-20-15-10-19-9-8-16(15)22(17)4/h5-7,11,19H,8-10H2,1-4H3,(H,21,23)
InChIKeyQYBBWLRLQAVFTD-UHFFFAOYSA-N
XLogP2.75
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methyl-3-propan-2-ylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide?
The IUPAC name of 1-methyl-N-(2-methyl-3-propan-2-ylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide (CID 167001250) is 1-methyl-N-(2-methyl-3-propan-2-ylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-methyl-3-propan-2-ylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide?
The canonical SMILES for 1-methyl-N-(2-methyl-3-propan-2-ylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide is Cc1c(NC(=O)c2nc3c(n2C)CCNC3)cccc1C(C)C.
What is the InChIKey of 1-methyl-N-(2-methyl-3-propan-2-ylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide?
The InChIKey is QYBBWLRLQAVFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-11(2)13-6-5-7-14(12(13)3)21-18(23)17-20-15-10-19-9-8-16(15)22(17)4/h5-7,11,19H,8-10H2,1-4H3,(H,21,23).
What are the key properties of 1-methyl-N-(2-methyl-3-propan-2-ylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide?
1-methyl-N-(2-methyl-3-propan-2-ylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methyl-3-propan-2-ylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 167001250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).