N-[(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-bromo-N-methyl-3-propan-2-yl-1H-indole-7-carboxamide

C27H28BrN3O2 — CID 67813792

IUPACN-[(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-bromo-N-methyl-3-propan-2-yl-1H-indole-7-carboxamide
SMILESCc1cc(Cc2ccccc2)c(CN(C)C(=O)c2cc(Br)cc3c(C(C)C)c[nH]c23)c(=O)[nH]1
InChIInChI=1S/C27H28BrN3O2/c1-16(2)23-14-29-25-21(23)12-20(28)13-22(25)27(33)31(4)15-24-19(10-17(3)30-26(24)32)11-18-8-6-5-7-9-18/h5-10,12-14,16,29H,11,15H2,1-4H3,(H,30,32)
InChIKeyQHNAIWKQSBVLBW-UHFFFAOYSA-N
MW506.44 g/mol
LogP5.91
Rot. Bonds6

About N-[(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-bromo-N-methyl-3-propan-2-yl-1H-indole-7-carboxamide

N-[(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-bromo-N-methyl-3-propan-2-yl-1H-indole-7-carboxamide (PubChem CID 67813792) has the molecular formula C27H28BrN3O2 and a molecular weight of 506.44 g/mol. Its IUPAC name is N-[(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-bromo-N-methyl-3-propan-2-yl-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-bromo-N-methyl-3-propan-2-yl-1H-indole-7-carboxamide
PubChem CID67813792
Molecular FormulaC27H28BrN3O2
Molecular Weight506.44 g/mol
Exact Mass505.14
IUPAC NameN-[(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-bromo-N-methyl-3-propan-2-yl-1H-indole-7-carboxamide
SMILESCc1cc(Cc2ccccc2)c(CN(C)C(=O)c2cc(Br)cc3c(C(C)C)c[nH]c23)c(=O)[nH]1
InChIInChI=1S/C27H28BrN3O2/c1-16(2)23-14-29-25-21(23)12-20(28)13-22(25)27(33)31(4)15-24-19(10-17(3)30-26(24)32)11-18-8-6-5-7-9-18/h5-10,12-14,16,29H,11,15H2,1-4H3,(H,30,32)
InChIKeyQHNAIWKQSBVLBW-UHFFFAOYSA-N
XLogP5.91
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.44
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-bromo-N-methyl-3-propan-2-yl-1H-indole-7-carboxamide?
The IUPAC name of N-[(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-bromo-N-methyl-3-propan-2-yl-1H-indole-7-carboxamide (CID 67813792) is N-[(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-bromo-N-methyl-3-propan-2-yl-1H-indole-7-carboxamide.
What is the SMILES notation for N-[(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-bromo-N-methyl-3-propan-2-yl-1H-indole-7-carboxamide?
The canonical SMILES for N-[(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-bromo-N-methyl-3-propan-2-yl-1H-indole-7-carboxamide is Cc1cc(Cc2ccccc2)c(CN(C)C(=O)c2cc(Br)cc3c(C(C)C)c[nH]c23)c(=O)[nH]1.
What is the InChIKey of N-[(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-bromo-N-methyl-3-propan-2-yl-1H-indole-7-carboxamide?
The InChIKey is QHNAIWKQSBVLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28BrN3O2/c1-16(2)23-14-29-25-21(23)12-20(28)13-22(25)27(33)31(4)15-24-19(10-17(3)30-26(24)32)11-18-8-6-5-7-9-18/h5-10,12-14,16,29H,11,15H2,1-4H3,(H,30,32).
What are the key properties of N-[(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-bromo-N-methyl-3-propan-2-yl-1H-indole-7-carboxamide?
N-[(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-bromo-N-methyl-3-propan-2-yl-1H-indole-7-carboxamide has a molecular weight of 506.44 g/mol, XLogP of 5.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-bromo-N-methyl-3-propan-2-yl-1H-indole-7-carboxamide is sourced from PubChem (CID 67813792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).