2-[2-[(4-methoxyphenyl)methylamino]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,3-thiazol-2-yl)propanamide

C27H26N4O3S — CID 87399538

IUPAC2-[2-[(4-methoxyphenyl)methylamino]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCOc1ccc(CNc2ccc3c(n2)Oc2ccccc2C3C(C)(C)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C27H26N4O3S/c1-27(2,25(32)31-26-28-14-15-35-26)23-19-6-4-5-7-21(19)34-24-20(23)12-13-22(30-24)29-16-17-8-10-18(33-3)11-9-17/h4-15,23H,16H2,1-3H3,(H,29,30)(H,28,31,32)
InChIKeyGSCVNSURLNDEQQ-UHFFFAOYSA-N
MW486.60 g/mol
LogP6.06
Rot. Bonds7

About 2-[2-[(4-methoxyphenyl)methylamino]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,3-thiazol-2-yl)propanamide

2-[2-[(4-methoxyphenyl)methylamino]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 87399538) has the molecular formula C27H26N4O3S and a molecular weight of 486.60 g/mol. Its IUPAC name is 2-[2-[(4-methoxyphenyl)methylamino]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-[2-[(4-methoxyphenyl)methylamino]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID87399538
Molecular FormulaC27H26N4O3S
Molecular Weight486.60 g/mol
Exact Mass486.17
IUPAC Name2-[2-[(4-methoxyphenyl)methylamino]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCOc1ccc(CNc2ccc3c(n2)Oc2ccccc2C3C(C)(C)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C27H26N4O3S/c1-27(2,25(32)31-26-28-14-15-35-26)23-19-6-4-5-7-21(19)34-24-20(23)12-13-22(30-24)29-16-17-8-10-18(33-3)11-9-17/h4-15,23H,16H2,1-3H3,(H,29,30)(H,28,31,32)
InChIKeyGSCVNSURLNDEQQ-UHFFFAOYSA-N
XLogP6.06
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.60
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[[2-(3-methoxy-9H-xanthen-9-yl)-2-methylpropanoyl]amino]-1,3-thiazole-4-carboxylate
CID 24955395
2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 770967
2-(2-hydroxy-9H-fluoren-9-yl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 24954306
2-methyl-2-[(5S)-2-(3-methylphenyl)-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 56595708
3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 143671145
(5S)-N-benzyl-5-[2-methyl-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridine-2-carboxamide;2-[(5S)-2-isocyano-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide;(5S)-5-[2-methyl-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridine-2-carboxylic acid
CID 158586008
N-[(4-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide
CID 669611
(1R,2R)-6-methoxy-1-phenyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 87668394
2-methyl-2-naphthalen-2-yloxy-N-(1,3-thiazol-2-yl)propanamide
CID 24962327
3-[6-(4-methoxyphenyl)-3-pyridinyl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 59138553
N-ethyl-2-(4-methoxyphenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]acetamide
CID 814252
ethane;2-(3-hydroxy-9H-xanthen-9-yl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 143629948

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methoxyphenyl)methylamino]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-[2-[(4-methoxyphenyl)methylamino]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,3-thiazol-2-yl)propanamide (CID 87399538) is 2-[2-[(4-methoxyphenyl)methylamino]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-[2-[(4-methoxyphenyl)methylamino]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-[2-[(4-methoxyphenyl)methylamino]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,3-thiazol-2-yl)propanamide is COc1ccc(CNc2ccc3c(n2)Oc2ccccc2C3C(C)(C)C(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-[2-[(4-methoxyphenyl)methylamino]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is GSCVNSURLNDEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3S/c1-27(2,25(32)31-26-28-14-15-35-26)23-19-6-4-5-7-21(19)34-24-20(23)12-13-22(30-24)29-16-17-8-10-18(33-3)11-9-17/h4-15,23H,16H2,1-3H3,(H,29,30)(H,28,31,32).
What are the key properties of 2-[2-[(4-methoxyphenyl)methylamino]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,3-thiazol-2-yl)propanamide?
2-[2-[(4-methoxyphenyl)methylamino]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 486.60 g/mol, XLogP of 6.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methoxyphenyl)methylamino]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 87399538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).