4-cyano-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzamide

C17H18N4O — CID 129006299

IUPAC4-cyano-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzamide
SMILESCc1cc(C#N)ccc1C(=O)NCC1CCn2ccnc2C1
InChIInChI=1S/C17H18N4O/c1-12-8-13(10-18)2-3-15(12)17(22)20-11-14-4-6-21-7-5-19-16(21)9-14/h2-3,5,7-8,14H,4,6,9,11H2,1H3,(H,20,22)
InChIKeyQOGNEYVSBVZEBP-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.06
Rot. Bonds3

About 4-cyano-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzamide

4-cyano-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzamide (PubChem CID 129006299) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-cyano-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzamide.

Molecular Properties

Compound Name4-cyano-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzamide
PubChem CID129006299
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name4-cyano-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzamide
SMILESCc1cc(C#N)ccc1C(=O)NCC1CCn2ccnc2C1
InChIInChI=1S/C17H18N4O/c1-12-8-13(10-18)2-3-15(12)17(22)20-11-14-4-6-21-7-5-19-16(21)9-14/h2-3,5,7-8,14H,4,6,9,11H2,1H3,(H,20,22)
InChIKeyQOGNEYVSBVZEBP-UHFFFAOYSA-N
XLogP2.06
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzamide?
The IUPAC name of 4-cyano-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzamide (CID 129006299) is 4-cyano-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzamide.
What is the SMILES notation for 4-cyano-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzamide?
The canonical SMILES for 4-cyano-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzamide is Cc1cc(C#N)ccc1C(=O)NCC1CCn2ccnc2C1.
What is the InChIKey of 4-cyano-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzamide?
The InChIKey is QOGNEYVSBVZEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-12-8-13(10-18)2-3-15(12)17(22)20-11-14-4-6-21-7-5-19-16(21)9-14/h2-3,5,7-8,14H,4,6,9,11H2,1H3,(H,20,22).
What are the key properties of 4-cyano-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzamide?
4-cyano-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzamide has a molecular weight of 294.36 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzamide is sourced from PubChem (CID 129006299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).