2-acetyl-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

C20H20N4O2 — CID 154744053

IUPAC2-acetyl-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESCC(=O)N1Cc2ccccc2CC1C(=O)NCc1ccn2ccnc2c1
InChIInChI=1S/C20H20N4O2/c1-14(25)24-13-17-5-3-2-4-16(17)11-18(24)20(26)22-12-15-6-8-23-9-7-21-19(23)10-15/h2-10,18H,11-13H2,1H3,(H,22,26)
InChIKeyZZYMDTIPLAWCBO-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.92
Rot. Bonds3

About 2-acetyl-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

2-acetyl-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide (PubChem CID 154744053) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-acetyl-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide.

Molecular Properties

Compound Name2-acetyl-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
PubChem CID154744053
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-acetyl-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESCC(=O)N1Cc2ccccc2CC1C(=O)NCc1ccn2ccnc2c1
InChIInChI=1S/C20H20N4O2/c1-14(25)24-13-17-5-3-2-4-16(17)11-18(24)20(26)22-12-15-6-8-23-9-7-21-19(23)10-15/h2-10,18H,11-13H2,1H3,(H,22,26)
InChIKeyZZYMDTIPLAWCBO-UHFFFAOYSA-N
XLogP1.92
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-2-acetyl-N-[(3-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 95292302
(2S,4S)-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-methoxy-1-methylpyrrolidine-2-carboxamide
CID 128985689
(3S)-2-acetyl-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 47066885
(3S)-2-acetyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 95766903
3-amino-N-(imidazo[1,2-a]pyridin-7-ylmethyl)cyclopentane-1-carboxamide
CID 119889498
3-amino-N-(imidazo[1,2-a]pyridin-7-ylmethyl)propanamide
CID 119889538
2-acetyl-N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 111485754
(3R)-2-acetyl-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 39966786
tert-butyl 3-(pyridin-3-ylmethylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 6733317
(3S)-2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 2303227
(3S)-2-acetyl-N-(2-morpholin-4-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 95152790
tert-butyl 3-[(3-methoxyphenyl)methylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 4900995

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The IUPAC name of 2-acetyl-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide (CID 154744053) is 2-acetyl-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide.
What is the SMILES notation for 2-acetyl-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The canonical SMILES for 2-acetyl-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide is CC(=O)N1Cc2ccccc2CC1C(=O)NCc1ccn2ccnc2c1.
What is the InChIKey of 2-acetyl-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The InChIKey is ZZYMDTIPLAWCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14(25)24-13-17-5-3-2-4-16(17)11-18(24)20(26)22-12-15-6-8-23-9-7-21-19(23)10-15/h2-10,18H,11-13H2,1H3,(H,22,26).
What are the key properties of 2-acetyl-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
2-acetyl-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 154744053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).