2,3-dimethyl-8-(3-phenylpropylamino)imidazo[1,2-a]pyridine-6-carboxylic acid

C19H21N3O2 — CID 150350313

IUPAC2,3-dimethyl-8-(3-phenylpropylamino)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCc1nc2c(NCCCc3ccccc3)cc(C(=O)O)cn2c1C
InChIInChI=1S/C19H21N3O2/c1-13-14(2)22-12-16(19(23)24)11-17(18(22)21-13)20-10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11-12,20H,6,9-10H2,1-2H3,(H,23,24)
InChIKeyGTPHNQNHASTJHX-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.69
Rot. Bonds6

About 2,3-dimethyl-8-(3-phenylpropylamino)imidazo[1,2-a]pyridine-6-carboxylic acid

2,3-dimethyl-8-(3-phenylpropylamino)imidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 150350313) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2,3-dimethyl-8-(3-phenylpropylamino)imidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2,3-dimethyl-8-(3-phenylpropylamino)imidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID150350313
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2,3-dimethyl-8-(3-phenylpropylamino)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCc1nc2c(NCCCc3ccccc3)cc(C(=O)O)cn2c1C
InChIInChI=1S/C19H21N3O2/c1-13-14(2)22-12-16(19(23)24)11-17(18(22)21-13)20-10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11-12,20H,6,9-10H2,1-2H3,(H,23,24)
InChIKeyGTPHNQNHASTJHX-UHFFFAOYSA-N
XLogP3.69
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-difluoro-4-(3-phenylpropylamino)benzoic acid
CID 63187020
2,6-dimethyl-4-(2-phenylethylamino)pyridine-3-carboxylic acid
CID 81051961
2-tert-butyl-N-(3-phenylpropyl)aniline
CID 39366741
[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-(3-fluoroazetidin-1-yl)methanone
CID 138646701
2-(3-phenylpropylamino)benzonitrile
CID 28580856
1-[6-methyl-2-(3-phenylpropylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113194140
2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373529
3-methyl-4-(3-phenylpropylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 175248146
8-(3,4-dihydro-1H-isochromen-4-ylamino)-N-(2-hydroxyethyl)-N,2,3-trimethylimidazo[1,2-a]pyridine-6-carboxamide
CID 57432317
4-(10-phenyldecylamino)benzoic acid
CID 13079660
5-bromo-2-methyl-N-(3-phenylpropyl)aniline
CID 43729393
1-[2,3-dimethyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one
CID 44583646

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-8-(3-phenylpropylamino)imidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 2,3-dimethyl-8-(3-phenylpropylamino)imidazo[1,2-a]pyridine-6-carboxylic acid (CID 150350313) is 2,3-dimethyl-8-(3-phenylpropylamino)imidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 2,3-dimethyl-8-(3-phenylpropylamino)imidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 2,3-dimethyl-8-(3-phenylpropylamino)imidazo[1,2-a]pyridine-6-carboxylic acid is Cc1nc2c(NCCCc3ccccc3)cc(C(=O)O)cn2c1C.
What is the InChIKey of 2,3-dimethyl-8-(3-phenylpropylamino)imidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is GTPHNQNHASTJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-14(2)22-12-16(19(23)24)11-17(18(22)21-13)20-10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11-12,20H,6,9-10H2,1-2H3,(H,23,24).
What are the key properties of 2,3-dimethyl-8-(3-phenylpropylamino)imidazo[1,2-a]pyridine-6-carboxylic acid?
2,3-dimethyl-8-(3-phenylpropylamino)imidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 323.40 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-8-(3-phenylpropylamino)imidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 150350313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).