N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methoxy-3-methyl-N-propan-2-yl-1H-indole-4-carboxamide

C22H27N3O3 — CID 122436767

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methoxy-3-methyl-N-propan-2-yl-1H-indole-4-carboxamide
SMILESCOc1cc(C(=O)N(Cc2c(C)cc(C)[nH]c2=O)C(C)C)c2c(C)c[nH]c2c1
InChIInChI=1S/C22H27N3O3/c1-12(2)25(11-18-13(3)7-15(5)24-21(18)26)22(27)17-8-16(28-6)9-19-20(17)14(4)10-23-19/h7-10,12,23H,11H2,1-6H3,(H,24,26)
InChIKeyLCBJBDVOARVHOF-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.84
Rot. Bonds5

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methoxy-3-methyl-N-propan-2-yl-1H-indole-4-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methoxy-3-methyl-N-propan-2-yl-1H-indole-4-carboxamide (PubChem CID 122436767) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methoxy-3-methyl-N-propan-2-yl-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methoxy-3-methyl-N-propan-2-yl-1H-indole-4-carboxamide
PubChem CID122436767
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methoxy-3-methyl-N-propan-2-yl-1H-indole-4-carboxamide
SMILESCOc1cc(C(=O)N(Cc2c(C)cc(C)[nH]c2=O)C(C)C)c2c(C)c[nH]c2c1
InChIInChI=1S/C22H27N3O3/c1-12(2)25(11-18-13(3)7-15(5)24-21(18)26)22(27)17-8-16(28-6)9-19-20(17)14(4)10-23-19/h7-10,12,23H,11H2,1-6H3,(H,24,26)
InChIKeyLCBJBDVOARVHOF-UHFFFAOYSA-N
XLogP3.84
TPSA78.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methoxy-3-methyl-N-propan-2-yl-1H-indole-4-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methoxy-3-methyl-N-propan-2-yl-1H-indole-4-carboxamide (CID 122436767) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methoxy-3-methyl-N-propan-2-yl-1H-indole-4-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methoxy-3-methyl-N-propan-2-yl-1H-indole-4-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methoxy-3-methyl-N-propan-2-yl-1H-indole-4-carboxamide is COc1cc(C(=O)N(Cc2c(C)cc(C)[nH]c2=O)C(C)C)c2c(C)c[nH]c2c1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methoxy-3-methyl-N-propan-2-yl-1H-indole-4-carboxamide?
The InChIKey is LCBJBDVOARVHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-12(2)25(11-18-13(3)7-15(5)24-21(18)26)22(27)17-8-16(28-6)9-19-20(17)14(4)10-23-19/h7-10,12,23H,11H2,1-6H3,(H,24,26).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methoxy-3-methyl-N-propan-2-yl-1H-indole-4-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methoxy-3-methyl-N-propan-2-yl-1H-indole-4-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methoxy-3-methyl-N-propan-2-yl-1H-indole-4-carboxamide is sourced from PubChem (CID 122436767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).