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

C26H34N4O2 — CID 122186511

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indole-3-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2c(C)n([C@H](C)C3CCN(C)CC3)c3ccccc23)c(=O)[nH]1
InChIInChI=1S/C26H34N4O2/c1-16-14-17(2)28-25(31)22(16)15-27-26(32)24-19(4)30(23-9-7-6-8-21(23)24)18(3)20-10-12-29(5)13-11-20/h6-9,14,18,20H,10-13,15H2,1-5H3,(H,27,32)(H,28,31)/t18-/m1/s1
InChIKeyLWNTVQSWMPMEHZ-GOSISDBHSA-N
MW434.58 g/mol
LogP4.09
Rot. Bonds5

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

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indole-3-carboxamide (PubChem CID 122186511) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indole-3-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indole-3-carboxamide
PubChem CID122186511
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indole-3-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2c(C)n([C@H](C)C3CCN(C)CC3)c3ccccc23)c(=O)[nH]1
InChIInChI=1S/C26H34N4O2/c1-16-14-17(2)28-25(31)22(16)15-27-26(32)24-19(4)30(23-9-7-6-8-21(23)24)18(3)20-10-12-29(5)13-11-20/h6-9,14,18,20H,10-13,15H2,1-5H3,(H,27,32)(H,28,31)/t18-/m1/s1
InChIKeyLWNTVQSWMPMEHZ-GOSISDBHSA-N
XLogP4.09
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indole-3-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indole-3-carboxamide (CID 122186511) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indole-3-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indole-3-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indole-3-carboxamide is Cc1cc(C)c(CNC(=O)c2c(C)n([C@H](C)C3CCN(C)CC3)c3ccccc23)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indole-3-carboxamide?
The InChIKey is LWNTVQSWMPMEHZ-GOSISDBHSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-16-14-17(2)28-25(31)22(16)15-27-26(32)24-19(4)30(23-9-7-6-8-21(23)24)18(3)20-10-12-29(5)13-11-20/h6-9,14,18,20H,10-13,15H2,1-5H3,(H,27,32)(H,28,31)/t18-/m1/s1.
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indole-3-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indole-3-carboxamide has a molecular weight of 434.58 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]indole-3-carboxamide is sourced from PubChem (CID 122186511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).