2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide

C17H20N6O — CID 95766080

IUPAC2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
SMILESCc1cn2c(n1)CC[C@@H](NC(=O)CN(C)c1ccc(C#N)cn1)C2
InChIInChI=1S/C17H20N6O/c1-12-9-23-10-14(4-6-16(23)20-12)21-17(24)11-22(2)15-5-3-13(7-18)8-19-15/h3,5,8-9,14H,4,6,10-11H2,1-2H3,(H,21,24)/t14-/m1/s1
InChIKeyLNBKTGNTZLRQKW-CQSZACIVSA-N
MW324.39 g/mol
LogP1.03
Rot. Bonds4

About 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide

2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide (PubChem CID 95766080) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide.

Molecular Properties

Compound Name2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
PubChem CID95766080
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
SMILESCc1cn2c(n1)CC[C@@H](NC(=O)CN(C)c1ccc(C#N)cn1)C2
InChIInChI=1S/C17H20N6O/c1-12-9-23-10-14(4-6-16(23)20-12)21-17(24)11-22(2)15-5-3-13(7-18)8-19-15/h3,5,8-9,14H,4,6,10-11H2,1-2H3,(H,21,24)/t14-/m1/s1
InChIKeyLNBKTGNTZLRQKW-CQSZACIVSA-N
XLogP1.03
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide?
The IUPAC name of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide (CID 95766080) is 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide.
What is the SMILES notation for 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide?
The canonical SMILES for 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide is Cc1cn2c(n1)CC[C@@H](NC(=O)CN(C)c1ccc(C#N)cn1)C2.
What is the InChIKey of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide?
The InChIKey is LNBKTGNTZLRQKW-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N6O/c1-12-9-23-10-14(4-6-16(23)20-12)21-17(24)11-22(2)15-5-3-13(7-18)8-19-15/h3,5,8-9,14H,4,6,10-11H2,1-2H3,(H,21,24)/t14-/m1/s1.
What are the key properties of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide?
2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide has a molecular weight of 324.39 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide is sourced from PubChem (CID 95766080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).