N-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)-4,5-dimethylpyridine-2-carboxamide

C18H20N2O3 — CID 136564096

IUPACN-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)-4,5-dimethylpyridine-2-carboxamide
SMILESCOc1ccc2c(c1)OCCC2NC(=O)c1cc(C)c(C)cn1
InChIInChI=1S/C18H20N2O3/c1-11-8-16(19-10-12(11)2)18(21)20-15-6-7-23-17-9-13(22-3)4-5-14(15)17/h4-5,8-10,15H,6-7H2,1-3H3,(H,20,21)
InChIKeyLAZCRDSVQVATOJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.96
Rot. Bonds3

About N-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)-4,5-dimethylpyridine-2-carboxamide

N-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)-4,5-dimethylpyridine-2-carboxamide (PubChem CID 136564096) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)-4,5-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)-4,5-dimethylpyridine-2-carboxamide
PubChem CID136564096
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)-4,5-dimethylpyridine-2-carboxamide
SMILESCOc1ccc2c(c1)OCCC2NC(=O)c1cc(C)c(C)cn1
InChIInChI=1S/C18H20N2O3/c1-11-8-16(19-10-12(11)2)18(21)20-15-6-7-23-17-9-13(22-3)4-5-14(15)17/h4-5,8-10,15H,6-7H2,1-3H3,(H,20,21)
InChIKeyLAZCRDSVQVATOJ-UHFFFAOYSA-N
XLogP2.96
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide
CID 18115323
N-[(5S)-8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]acetamide
CID 97161642
N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)propanamide
CID 110477525
N-(3,4-dihydro-2H-chromen-4-yl)-5-(methylamino)pyrazine-2-carboxamide
CID 107375415
2-amino-N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-methylpropanamide
CID 110480046
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 94526998
3-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxybenzamide
CID 8819799
7-methoxy-N-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 75422627
(4S)-7-methoxy-3,4-dihydro-2H-chromene-4-carbaldehyde
CID 124547873
1-(2-hydroxy-2,3-dihydro-1H-inden-4-yl)-3-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)urea
CID 71599574
[4-[(7-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-6-methylpyrimidin-2-yl]methanol
CID 154797001
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 31361863

Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)-4,5-dimethylpyridine-2-carboxamide?
The IUPAC name of N-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)-4,5-dimethylpyridine-2-carboxamide (CID 136564096) is N-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)-4,5-dimethylpyridine-2-carboxamide.
What is the SMILES notation for N-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)-4,5-dimethylpyridine-2-carboxamide?
The canonical SMILES for N-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)-4,5-dimethylpyridine-2-carboxamide is COc1ccc2c(c1)OCCC2NC(=O)c1cc(C)c(C)cn1.
What is the InChIKey of N-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)-4,5-dimethylpyridine-2-carboxamide?
The InChIKey is LAZCRDSVQVATOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-11-8-16(19-10-12(11)2)18(21)20-15-6-7-23-17-9-13(22-3)4-5-14(15)17/h4-5,8-10,15H,6-7H2,1-3H3,(H,20,21).
What are the key properties of N-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)-4,5-dimethylpyridine-2-carboxamide?
N-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)-4,5-dimethylpyridine-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)-4,5-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 136564096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).