4-methyl-7-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]chromen-2-one

C19H20N2O2 — CID 56718124

IUPAC4-methyl-7-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]chromen-2-one
SMILESCc1cnccc1CN(C)Cc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C19H20N2O2/c1-13-8-19(22)23-18-9-15(4-5-17(13)18)11-21(3)12-16-6-7-20-10-14(16)2/h4-10H,11-12H2,1-3H3
InChIKeyBVQIITBLGQTTNE-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.44
Rot. Bonds4

About 4-methyl-7-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]chromen-2-one

4-methyl-7-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]chromen-2-one (PubChem CID 56718124) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-methyl-7-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]chromen-2-one.

Molecular Properties

Compound Name4-methyl-7-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]chromen-2-one
PubChem CID56718124
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name4-methyl-7-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]chromen-2-one
SMILESCc1cnccc1CN(C)Cc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C19H20N2O2/c1-13-8-19(22)23-18-9-15(4-5-17(13)18)11-21(3)12-16-6-7-20-10-14(16)2/h4-10H,11-12H2,1-3H3
InChIKeyBVQIITBLGQTTNE-UHFFFAOYSA-N
XLogP3.44
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1-phenylmethanamine
CID 50950146
7-ethyl-4-methylchromen-2-one
CID 5160585
4-[[(4-ethylphenyl)methyl-methylamino]methyl]-7-methylchromen-2-one
CID 27205990
7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-4-methylchromen-2-one;hydrochloride
CID 122180434
7-(2-hydroxyethyl)-4-methylchromen-2-one
CID 59776497
4-methyl-7-[[methyl(2-morpholin-4-ylpropyl)amino]methyl]chromen-2-one
CID 56722047
6-chloro-4-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-7-methylchromen-2-one
CID 2689304
4-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-7-methyl-6-propan-2-ylchromen-2-one
CID 3632309
4-[[(3-chlorophenyl)methyl-methylamino]methyl]-6,7-dimethylchromen-2-one
CID 9251054
8-(bromomethyl)-4-methyl-[1]benzofuro[3,2-g]chromen-2-one
CID 10545292
N-methyl-3-[methyl-[(4-methyl-2-oxochromen-7-yl)methyl]amino]butanamide
CID 56709335
7-methoxy-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]chromen-2-one
CID 2690617

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]chromen-2-one?
The IUPAC name of 4-methyl-7-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]chromen-2-one (CID 56718124) is 4-methyl-7-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]chromen-2-one.
What is the SMILES notation for 4-methyl-7-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]chromen-2-one?
The canonical SMILES for 4-methyl-7-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]chromen-2-one is Cc1cnccc1CN(C)Cc1ccc2c(C)cc(=O)oc2c1.
What is the InChIKey of 4-methyl-7-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]chromen-2-one?
The InChIKey is BVQIITBLGQTTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13-8-19(22)23-18-9-15(4-5-17(13)18)11-21(3)12-16-6-7-20-10-14(16)2/h4-10H,11-12H2,1-3H3.
What are the key properties of 4-methyl-7-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]chromen-2-one?
4-methyl-7-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]chromen-2-one has a molecular weight of 308.38 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]chromen-2-one is sourced from PubChem (CID 56718124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).