N-[(3-methoxyphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

C21H18N2O3 — CID 121363591

IUPACN-[(3-methoxyphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)c1
InChIInChI=1S/C21H18N2O3/c1-25-17-4-2-3-14(9-17)11-23-21(24)15-5-6-19-18-7-8-22-12-16(18)13-26-20(19)10-15/h2-10,12H,11,13H2,1H3,(H,23,24)
InChIKeySIKMVWPMDNIKAY-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.58
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

N-[(3-methoxyphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363591) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363591
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC NameN-[(3-methoxyphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)c1
InChIInChI=1S/C21H18N2O3/c1-25-17-4-2-3-14(9-17)11-23-21(24)15-5-6-19-18-7-8-22-12-16(18)13-26-20(19)10-15/h2-10,12H,11,13H2,1H3,(H,23,24)
InChIKeySIKMVWPMDNIKAY-UHFFFAOYSA-N
XLogP3.58
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

BI-9564
CID 117072549
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2-Methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]benzamide
CID 139582022
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4-fluoro-3-[2-(4-fluorophenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396290
4-fluoro-3-[2-(4-methoxyphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396291
4-fluoro-3-[2-(4-methylphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396292
(S)-7-methoxy-1-((5-oxopyrrolidin-2-yl)methoxy)isoquinoline-6-carboxamide
CID 118414336
(S)-7-ethoxy-1-((5-oxopyrrolidin-2-yl)methoxy)isoquinoline-6-carboxamide
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ROCK inhibitor-2
CID 51003130

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 121363591) is N-[(3-methoxyphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is COc1cccc(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is SIKMVWPMDNIKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-25-17-4-2-3-14(9-17)11-23-21(24)15-5-6-19-18-7-8-22-12-16(18)13-26-20(19)10-15/h2-10,12H,11,13H2,1H3,(H,23,24).
What are the key properties of N-[(3-methoxyphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
N-[(3-methoxyphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).