1-amino-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroindene-1-carboxamide

C18H21N3O2 — CID 138010238

IUPAC1-amino-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroindene-1-carboxamide
SMILESCOc1cccc2c1CCC2(N)C(=O)NCc1ncccc1C
InChIInChI=1S/C18H21N3O2/c1-12-5-4-10-20-15(12)11-21-17(22)18(19)9-8-13-14(18)6-3-7-16(13)23-2/h3-7,10H,8-9,11,19H2,1-2H3,(H,21,22)
InChIKeyMLDAIGKEYXKFLG-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.82
Rot. Bonds4

About 1-amino-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroindene-1-carboxamide

1-amino-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroindene-1-carboxamide (PubChem CID 138010238) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-amino-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name1-amino-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroindene-1-carboxamide
PubChem CID138010238
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name1-amino-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroindene-1-carboxamide
SMILESCOc1cccc2c1CCC2(N)C(=O)NCc1ncccc1C
InChIInChI=1S/C18H21N3O2/c1-12-5-4-10-20-15(12)11-21-17(22)18(19)9-8-13-14(18)6-3-7-16(13)23-2/h3-7,10H,8-9,11,19H2,1-2H3,(H,21,22)
InChIKeyMLDAIGKEYXKFLG-UHFFFAOYSA-N
XLogP1.82
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroindene-1-carboxamide?
The IUPAC name of 1-amino-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroindene-1-carboxamide (CID 138010238) is 1-amino-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for 1-amino-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for 1-amino-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroindene-1-carboxamide is COc1cccc2c1CCC2(N)C(=O)NCc1ncccc1C.
What is the InChIKey of 1-amino-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroindene-1-carboxamide?
The InChIKey is MLDAIGKEYXKFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-5-4-10-20-15(12)11-21-17(22)18(19)9-8-13-14(18)6-3-7-16(13)23-2/h3-7,10H,8-9,11,19H2,1-2H3,(H,21,22).
What are the key properties of 1-amino-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroindene-1-carboxamide?
1-amino-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroindene-1-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 138010238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).