2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridine-4-carboxamide

C17H18N2O3 — CID 72849732

IUPAC2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridine-4-carboxamide
SMILESCOc1ccc2c(c1)OCC(Cc1cc(C(N)=O)ccn1)C2
InChIInChI=1S/C17H18N2O3/c1-21-15-3-2-12-6-11(10-22-16(12)9-15)7-14-8-13(17(18)20)4-5-19-14/h2-5,8-9,11H,6-7,10H2,1H3,(H2,18,20)
InChIKeyMGZUYASTUXXZOD-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.98
Rot. Bonds4

About 2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridine-4-carboxamide

2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridine-4-carboxamide (PubChem CID 72849732) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridine-4-carboxamide
PubChem CID72849732
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridine-4-carboxamide
SMILESCOc1ccc2c(c1)OCC(Cc1cc(C(N)=O)ccn1)C2
InChIInChI=1S/C17H18N2O3/c1-21-15-3-2-12-6-11(10-22-16(12)9-15)7-14-8-13(17(18)20)4-5-19-14/h2-5,8-9,11H,6-7,10H2,1H3,(H2,18,20)
InChIKeyMGZUYASTUXXZOD-UHFFFAOYSA-N
XLogP1.98
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine
CID 97285664
2-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxypyridine
CID 97130017
4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine
CID 97269713
6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridin-2-amine
CID 72938963
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-4-carboxamide
CID 97142134
4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-6-piperidin-1-ylpyrimidine
CID 97270402
4-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-piperidin-1-ylpyrimidine
CID 72849919
(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanamine;hydrochloride
CID 74889940
4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-6-propylpyrimidine
CID 97131874
6-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-propan-2-ylpyridazin-3-amine
CID 97116124
6-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-propan-2-ylpyridazin-3-amine
CID 97116123
2-amino-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methylpropanamide
CID 72923552

Frequently Asked Questions

What is the IUPAC name of 2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridine-4-carboxamide (CID 72849732) is 2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridine-4-carboxamide is COc1ccc2c(c1)OCC(Cc1cc(C(N)=O)ccn1)C2.
What is the InChIKey of 2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridine-4-carboxamide?
The InChIKey is MGZUYASTUXXZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-21-15-3-2-12-6-11(10-22-16(12)9-15)7-14-8-13(17(18)20)4-5-19-14/h2-5,8-9,11H,6-7,10H2,1H3,(H2,18,20).
What are the key properties of 2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridine-4-carboxamide?
2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridine-4-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 72849732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).