N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide

C16H17N3O2 — CID 103998680

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(c2)CNC3)cn1
InChIInChI=1S/C16H17N3O2/c1-21-15-5-2-11(7-18-15)8-19-16(20)12-3-4-13-9-17-10-14(13)6-12/h2-7,17H,8-10H2,1H3,(H,19,20)
InChIKeySQEGQESXTQGYIJ-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.62
Rot. Bonds4

About N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide

N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 103998680) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID103998680
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(c2)CNC3)cn1
InChIInChI=1S/C16H17N3O2/c1-21-15-5-2-11(7-18-15)8-19-16(20)12-3-4-13-9-17-10-14(13)6-12/h2-7,17H,8-10H2,1H3,(H,19,20)
InChIKeySQEGQESXTQGYIJ-UHFFFAOYSA-N
XLogP1.62
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51306023
3,4-dihydroxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 103955476
N-[(6-methoxy-3-pyridinyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 24613235
3-amino-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide
CID 61275557
6-amino-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 55152846
3,5-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 16602233
3-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-yloxybenzamide
CID 51306028
N-[(6-methoxy-3-pyridinyl)methyl]-4-phenylbenzamide
CID 24589971
2-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 114326282
4-(ethylamino)-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 62991496
N-[2-[(6-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]naphthalene-2-carboxamide
CID 17420778

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide (CID 103998680) is N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide is COc1ccc(CNC(=O)c2ccc3c(c2)CNC3)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is SQEGQESXTQGYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-21-15-5-2-11(7-18-15)8-19-16(20)12-3-4-13-9-17-10-14(13)6-12/h2-7,17H,8-10H2,1H3,(H,19,20).
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 103998680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).