2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide

C19H21N3O4 — CID 171389849

IUPAC2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide
SMILESCc1c(C)c2ccc(OC(C)C(=O)N(C)Cc3ccn[nH]3)cc2oc1=O
InChIInChI=1S/C19H21N3O4/c1-11-12(2)19(24)26-17-9-15(5-6-16(11)17)25-13(3)18(23)22(4)10-14-7-8-20-21-14/h5-9,13H,10H2,1-4H3,(H,20,21)
InChIKeyIUSGNEQKPNBMQF-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.56
Rot. Bonds5

About 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide

2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide (PubChem CID 171389849) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide
PubChem CID171389849
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide
SMILESCc1c(C)c2ccc(OC(C)C(=O)N(C)Cc3ccn[nH]3)cc2oc1=O
InChIInChI=1S/C19H21N3O4/c1-11-12(2)19(24)26-17-9-15(5-6-16(11)17)25-13(3)18(23)22(4)10-14-7-8-20-21-14/h5-9,13H,10H2,1-4H3,(H,20,21)
InChIKeyIUSGNEQKPNBMQF-UHFFFAOYSA-N
XLogP2.56
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.56
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

(2R)-2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
CID 95212791
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 171907889
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 171910820
N-[3-(dimethylamino)propyl]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxypropanamide
CID 4908121
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide
CID 171911753
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide
CID 171907768
2-[4-[2-(3,4-dimethyl-2-oxochromen-7-yl)oxypropanoyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 171386982
N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide
CID 171388910
(2S,3R)-2-[[(2S)-2-(3,4-dimethyl-2-oxochromen-7-yl)oxypropanoyl]amino]-3-methylpentanoic acid
CID 6353597
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-(2-ethyltriazol-4-yl)propanamide
CID 171388957
(2R)-2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-2-phenylacetic acid
CID 906268
(2R)-N-benzyl-N-methyl-2-(2-oxochromen-7-yl)oxypropanamide
CID 7564420

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide?
The IUPAC name of 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide (CID 171389849) is 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide.
What is the SMILES notation for 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide?
The canonical SMILES for 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide is Cc1c(C)c2ccc(OC(C)C(=O)N(C)Cc3ccn[nH]3)cc2oc1=O.
What is the InChIKey of 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide?
The InChIKey is IUSGNEQKPNBMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-11-12(2)19(24)26-17-9-15(5-6-16(11)17)25-13(3)18(23)22(4)10-14-7-8-20-21-14/h5-9,13H,10H2,1-4H3,(H,20,21).
What are the key properties of 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide?
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide has a molecular weight of 355.39 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide is sourced from PubChem (CID 171389849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).