5-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]-N,N-dimethylpyridine-2-carboxamide

C19H21N3O4 — CID 166255735

IUPAC5-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]-N,N-dimethylpyridine-2-carboxamide
SMILESCOc1ccc2c(c1)OCC(C(=O)Nc1ccc(C(=O)N(C)C)nc1)C2
InChIInChI=1S/C19H21N3O4/c1-22(2)19(24)16-7-5-14(10-20-16)21-18(23)13-8-12-4-6-15(25-3)9-17(12)26-11-13/h4-7,9-10,13H,8,11H2,1-3H3,(H,21,23)
InChIKeyBMUXHGVZQMYMPK-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.98
Rot. Bonds4

About 5-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]-N,N-dimethylpyridine-2-carboxamide

5-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 166255735) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 5-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]-N,N-dimethylpyridine-2-carboxamide
PubChem CID166255735
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name5-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]-N,N-dimethylpyridine-2-carboxamide
SMILESCOc1ccc2c(c1)OCC(C(=O)Nc1ccc(C(=O)N(C)C)nc1)C2
InChIInChI=1S/C19H21N3O4/c1-22(2)19(24)16-7-5-14(10-20-16)21-18(23)13-8-12-4-6-15(25-3)9-17(12)26-11-13/h4-7,9-10,13H,8,11H2,1-3H3,(H,21,23)
InChIKeyBMUXHGVZQMYMPK-UHFFFAOYSA-N
XLogP1.98
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-N-pyridin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide
CID 49158782
7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 49193904
7-methoxy-N-(5-oxo-1,4-dihydroimidazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 49263413
methyl 2-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]acetate
CID 49192126
5-[(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 138029318
(3S)-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 40840529
(3S)-N-[2-(4-fluorophenoxy)ethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 95050059
(3S)-N-[(2R)-2-hydroxy-2-phenylethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 94823597
(3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 94823599
(3S)-7-methoxy-N-(8-methoxyquinolin-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95050083
7-methoxy-N-[3-[2-methoxyethyl(methyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 49194606
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 72901030

Frequently Asked Questions

What is the IUPAC name of 5-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 5-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]-N,N-dimethylpyridine-2-carboxamide (CID 166255735) is 5-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 5-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]-N,N-dimethylpyridine-2-carboxamide is COc1ccc2c(c1)OCC(C(=O)Nc1ccc(C(=O)N(C)C)nc1)C2.
What is the InChIKey of 5-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is BMUXHGVZQMYMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-22(2)19(24)16-7-5-14(10-20-16)21-18(23)13-8-12-4-6-15(25-3)9-17(12)26-11-13/h4-7,9-10,13H,8,11H2,1-3H3,(H,21,23).
What are the key properties of 5-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]-N,N-dimethylpyridine-2-carboxamide?
5-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 166255735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).