N-methyl-2-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]chromene-3-carboxamide

C21H18N4O3 — CID 51201676

IUPACN-methyl-2-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]chromene-3-carboxamide
SMILESCC(c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C21H18N4O3/c1-14(15-7-9-17(10-8-15)25-13-22-12-23-25)24(2)20(26)18-11-16-5-3-4-6-19(16)28-21(18)27/h3-14H,1-2H3
InChIKeyUCRVHKSAMFIELU-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.21
Rot. Bonds4

About N-methyl-2-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]chromene-3-carboxamide

N-methyl-2-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]chromene-3-carboxamide (PubChem CID 51201676) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-methyl-2-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]chromene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]chromene-3-carboxamide
PubChem CID51201676
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-methyl-2-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]chromene-3-carboxamide
SMILESCC(c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C21H18N4O3/c1-14(15-7-9-17(10-8-15)25-13-22-12-23-25)24(2)20(26)18-11-16-5-3-4-6-19(16)28-21(18)27/h3-14H,1-2H3
InChIKeyUCRVHKSAMFIELU-UHFFFAOYSA-N
XLogP3.21
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-methyl-2-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]chromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,2,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide
CID 78808654
N-methyl-2-nitro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 33183818
2,4-difluoro-N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 8820407
2-[2-(dimethylamino)-2-oxoethoxy]-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 43031428
2-chloro-4,5-difluoro-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 51201668
2-chloro-N-methyl-5-methylsulfanyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 46821125
N,3-dimethyl-6-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 42930071
7-fluoro-N,2-dimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-3-carboxamide
CID 46667228
4-chloro-2-iodo-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 55686577
3,5-difluoro-N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 9471095
N,3-dimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,2-oxazole-5-carboxamide
CID 51207161
3-(dimethylamino)-N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 33184027

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]chromene-3-carboxamide?
The IUPAC name of N-methyl-2-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]chromene-3-carboxamide (CID 51201676) is N-methyl-2-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]chromene-3-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]chromene-3-carboxamide?
The canonical SMILES for N-methyl-2-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]chromene-3-carboxamide is CC(c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of N-methyl-2-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]chromene-3-carboxamide?
The InChIKey is UCRVHKSAMFIELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-14(15-7-9-17(10-8-15)25-13-22-12-23-25)24(2)20(26)18-11-16-5-3-4-6-19(16)28-21(18)27/h3-14H,1-2H3.
What are the key properties of N-methyl-2-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]chromene-3-carboxamide?
N-methyl-2-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]chromene-3-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]chromene-3-carboxamide is sourced from PubChem (CID 51201676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).