N-(pyridin-3-ylmethyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxypropanamide

C21H22N2O4 — CID 4976305

IUPACN-(pyridin-3-ylmethyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxypropanamide
SMILESCc1cc(OC(C)C(=O)NCc2cccnc2)c2c(C)c(C)c(=O)oc2c1
InChIInChI=1S/C21H22N2O4/c1-12-8-17(19-13(2)14(3)21(25)27-18(19)9-12)26-15(4)20(24)23-11-16-6-5-7-22-10-16/h5-10,15H,11H2,1-4H3,(H,23,24)
InChIKeyGYVPAKOPXNQDFW-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.20
Rot. Bonds5

About N-(pyridin-3-ylmethyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxypropanamide

N-(pyridin-3-ylmethyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxypropanamide (PubChem CID 4976305) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxypropanamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxypropanamide
PubChem CID4976305
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-(pyridin-3-ylmethyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxypropanamide
SMILESCc1cc(OC(C)C(=O)NCc2cccnc2)c2c(C)c(C)c(=O)oc2c1
InChIInChI=1S/C21H22N2O4/c1-12-8-17(19-13(2)14(3)21(25)27-18(19)9-12)26-15(4)20(24)23-11-16-6-5-7-22-10-16/h5-10,15H,11H2,1-4H3,(H,23,24)
InChIKeyGYVPAKOPXNQDFW-UHFFFAOYSA-N
XLogP3.20
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]-N-(pyridin-4-ylmethyl)propanamide
CID 7632747
2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 21366996
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 4906580
(2R)-2-[(2-chloro-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-(pyridin-3-ylmethyl)propanamide
CID 7581419
(2R)-2-(2,4-dichlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 881059
(2S)-2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 7632037
3,4,7-trimethyl-5-[(2S)-1-oxo-1-phenylpropan-2-yl]oxychromen-2-one
CID 938511
(2R)-2-(3-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 31882488
(2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 7580834
(2S)-2-(4-butyl-6-chloro-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 7632762
(2R)-2-(4-chloro-3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 890845
(2S)-2-(3-benzyl-4,7-dimethyl-2-oxochromen-5-yl)oxypropanoic acid
CID 1342333

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxypropanamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxypropanamide (CID 4976305) is N-(pyridin-3-ylmethyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxypropanamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxypropanamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxypropanamide is Cc1cc(OC(C)C(=O)NCc2cccnc2)c2c(C)c(C)c(=O)oc2c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxypropanamide?
The InChIKey is GYVPAKOPXNQDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-12-8-17(19-13(2)14(3)21(25)27-18(19)9-12)26-15(4)20(24)23-11-16-6-5-7-22-10-16/h5-10,15H,11H2,1-4H3,(H,23,24).
What are the key properties of N-(pyridin-3-ylmethyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxypropanamide?
N-(pyridin-3-ylmethyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxypropanamide has a molecular weight of 366.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxypropanamide is sourced from PubChem (CID 4976305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).