5-methoxy-1-methyl-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]indole-2-carboxamide

C20H23N3O2 — CID 97130600

IUPAC5-methoxy-1-methyl-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]indole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)N[C@H](C)Cc1ncccc1C)n2C
InChIInChI=1S/C20H23N3O2/c1-13-6-5-9-21-17(13)10-14(2)22-20(24)19-12-15-11-16(25-4)7-8-18(15)23(19)3/h5-9,11-12,14H,10H2,1-4H3,(H,22,24)/t14-/m1/s1
InChIKeyWLVVOOMFPSKNPN-CQSZACIVSA-N
MW337.42 g/mol
LogP3.25
Rot. Bonds5

About 5-methoxy-1-methyl-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]indole-2-carboxamide

5-methoxy-1-methyl-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]indole-2-carboxamide (PubChem CID 97130600) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-methoxy-1-methyl-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]indole-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-1-methyl-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]indole-2-carboxamide
PubChem CID97130600
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name5-methoxy-1-methyl-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]indole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)N[C@H](C)Cc1ncccc1C)n2C
InChIInChI=1S/C20H23N3O2/c1-13-6-5-9-21-17(13)10-14(2)22-20(24)19-12-15-11-16(25-4)7-8-18(15)23(19)3/h5-9,11-12,14H,10H2,1-4H3,(H,22,24)/t14-/m1/s1
InChIKeyWLVVOOMFPSKNPN-CQSZACIVSA-N
XLogP3.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]indole-2-carboxamide?
The IUPAC name of 5-methoxy-1-methyl-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]indole-2-carboxamide (CID 97130600) is 5-methoxy-1-methyl-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]indole-2-carboxamide.
What is the SMILES notation for 5-methoxy-1-methyl-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]indole-2-carboxamide?
The canonical SMILES for 5-methoxy-1-methyl-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]indole-2-carboxamide is COc1ccc2c(c1)cc(C(=O)N[C@H](C)Cc1ncccc1C)n2C.
What is the InChIKey of 5-methoxy-1-methyl-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]indole-2-carboxamide?
The InChIKey is WLVVOOMFPSKNPN-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13-6-5-9-21-17(13)10-14(2)22-20(24)19-12-15-11-16(25-4)7-8-18(15)23(19)3/h5-9,11-12,14H,10H2,1-4H3,(H,22,24)/t14-/m1/s1.
What are the key properties of 5-methoxy-1-methyl-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]indole-2-carboxamide?
5-methoxy-1-methyl-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]indole-2-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]indole-2-carboxamide is sourced from PubChem (CID 97130600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).