7-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide

C19H23N3O3 — CID 72885940

IUPAC7-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OCC(C(=O)NCCNc1ccncc1C)C2
InChIInChI=1S/C19H23N3O3/c1-13-11-20-6-5-17(13)21-7-8-22-19(23)15-9-14-3-4-16(24-2)10-18(14)25-12-15/h3-6,10-11,15H,7-9,12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyOAZSUKBITRVUEX-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.18
Rot. Bonds6

About 7-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide

7-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 72885940) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 7-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID72885940
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name7-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OCC(C(=O)NCCNc1ccncc1C)C2
InChIInChI=1S/C19H23N3O3/c1-13-11-20-6-5-17(13)21-7-8-22-19(23)15-9-14-3-4-16(24-2)10-18(14)25-12-15/h3-6,10-11,15H,7-9,12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyOAZSUKBITRVUEX-UHFFFAOYSA-N
XLogP2.18
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-7-methoxy-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97124753
methyl 2-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]acetate
CID 49192126
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 72901030
7-methoxy-N-pyridin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide
CID 49158782
(3S)-7-methoxy-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95175196
7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 49193904
(3S)-N-[2-(4-fluorophenoxy)ethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 95050059
(3S)-7-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95050077
(3S)-7-methoxy-N-[3-(triazol-1-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97134116
7-methoxy-N-[3-[2-methoxyethyl(methyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 49194606
7-methoxy-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72931988
(3S)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97123548

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 7-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 72885940) is 7-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 7-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)OCC(C(=O)NCCNc1ccncc1C)C2.
What is the InChIKey of 7-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is OAZSUKBITRVUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-11-20-6-5-17(13)21-7-8-22-19(23)15-9-14-3-4-16(24-2)10-18(14)25-12-15/h3-6,10-11,15H,7-9,12H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 7-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
7-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 72885940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).