N-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

C18H23N3O — CID 124739617

IUPACN-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccccc1[C@H](C)N(C)C(=O)c1cn2c(n1)CCCC2
InChIInChI=1S/C18H23N3O/c1-13-8-4-5-9-15(13)14(2)20(3)18(22)16-12-21-11-7-6-10-17(21)19-16/h4-5,8-9,12,14H,6-7,10-11H2,1-3H3/t14-/m0/s1
InChIKeySYPPFTBDTPYPCF-AWEZNQCLSA-N
MW297.40 g/mol
LogP3.36
Rot. Bonds3

About N-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

N-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 124739617) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID124739617
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccccc1[C@H](C)N(C)C(=O)c1cn2c(n1)CCCC2
InChIInChI=1S/C18H23N3O/c1-13-8-4-5-9-15(13)14(2)20(3)18(22)16-12-21-11-7-6-10-17(21)19-16/h4-5,8-9,12,14H,6-7,10-11H2,1-3H3/t14-/m0/s1
InChIKeySYPPFTBDTPYPCF-AWEZNQCLSA-N
XLogP3.36
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (CID 124739617) is N-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is Cc1ccccc1[C@H](C)N(C)C(=O)c1cn2c(n1)CCCC2.
What is the InChIKey of N-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is SYPPFTBDTPYPCF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13-8-4-5-9-15(13)14(2)20(3)18(22)16-12-21-11-7-6-10-17(21)19-16/h4-5,8-9,12,14H,6-7,10-11H2,1-3H3/t14-/m0/s1.
What are the key properties of N-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
N-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 124739617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).