(3R)-N-benzyl-3-(2-methylphenyl)-3-[(8R)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide

C25H29N3O — CID 93019360

IUPAC(3R)-N-benzyl-3-(2-methylphenyl)-3-[(8R)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide
SMILESCc1ccccc1[C@@H](CC(=O)NCc1ccccc1)c1cnc2n1CCC[C@H]2C
InChIInChI=1S/C25H29N3O/c1-18-9-6-7-13-21(18)22(15-24(29)26-16-20-11-4-3-5-12-20)23-17-27-25-19(2)10-8-14-28(23)25/h3-7,9,11-13,17,19,22H,8,10,14-16H2,1-2H3,(H,26,29)/t19-,22-/m1/s1
InChIKeyYODSGQBNMJMYFW-DENIHFKCSA-N
MW387.53 g/mol
LogP4.93
Rot. Bonds6

About (3R)-N-benzyl-3-(2-methylphenyl)-3-[(8R)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide

(3R)-N-benzyl-3-(2-methylphenyl)-3-[(8R)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide (PubChem CID 93019360) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is (3R)-N-benzyl-3-(2-methylphenyl)-3-[(8R)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide.

Molecular Properties

Compound Name(3R)-N-benzyl-3-(2-methylphenyl)-3-[(8R)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide
PubChem CID93019360
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name(3R)-N-benzyl-3-(2-methylphenyl)-3-[(8R)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide
SMILESCc1ccccc1[C@@H](CC(=O)NCc1ccccc1)c1cnc2n1CCC[C@H]2C
InChIInChI=1S/C25H29N3O/c1-18-9-6-7-13-21(18)22(15-24(29)26-16-20-11-4-3-5-12-20)23-17-27-25-19(2)10-8-14-28(23)25/h3-7,9,11-13,17,19,22H,8,10,14-16H2,1-2H3,(H,26,29)/t19-,22-/m1/s1
InChIKeyYODSGQBNMJMYFW-DENIHFKCSA-N
XLogP4.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(furan-2-ylmethyl)-3-(2-methylphenyl)-3-[(8S)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide
CID 93019363
1-(4-ethylpiperazin-1-yl)-3-(2-methylphenyl)-3-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 42879930
3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 42783565
3-(2-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 45207071
N-cyclohexyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propanamide
CID 4147346
3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide
CID 42783552
N-benzyl-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109187875
N-benzyl-2-[(1-ethylazepan-4-yl)amino]acetamide
CID 65073911
N-(furan-2-ylmethyl)-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 42784079
3-(2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]butanamide
CID 86961985
N-benzyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79547063
N-benzyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 112628516

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-3-(2-methylphenyl)-3-[(8R)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide?
The IUPAC name of (3R)-N-benzyl-3-(2-methylphenyl)-3-[(8R)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide (CID 93019360) is (3R)-N-benzyl-3-(2-methylphenyl)-3-[(8R)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide.
What is the SMILES notation for (3R)-N-benzyl-3-(2-methylphenyl)-3-[(8R)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide?
The canonical SMILES for (3R)-N-benzyl-3-(2-methylphenyl)-3-[(8R)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide is Cc1ccccc1[C@@H](CC(=O)NCc1ccccc1)c1cnc2n1CCC[C@H]2C.
What is the InChIKey of (3R)-N-benzyl-3-(2-methylphenyl)-3-[(8R)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide?
The InChIKey is YODSGQBNMJMYFW-DENIHFKCSA-N. The full InChI is InChI=1S/C25H29N3O/c1-18-9-6-7-13-21(18)22(15-24(29)26-16-20-11-4-3-5-12-20)23-17-27-25-19(2)10-8-14-28(23)25/h3-7,9,11-13,17,19,22H,8,10,14-16H2,1-2H3,(H,26,29)/t19-,22-/m1/s1.
What are the key properties of (3R)-N-benzyl-3-(2-methylphenyl)-3-[(8R)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide?
(3R)-N-benzyl-3-(2-methylphenyl)-3-[(8R)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide has a molecular weight of 387.53 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-3-(2-methylphenyl)-3-[(8R)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]propanamide is sourced from PubChem (CID 93019360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).