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

C28H35F3N4O3 — CID 162643900

IUPACN-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethyl]indole-3-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CCC(F)(F)F)CC2)c2ccccc12
InChIInChI=1S/C28H35F3N4O3/c1-17-15-24(38-4)22(26(36)33-17)16-32-27(37)25-19(3)35(23-8-6-5-7-21(23)25)18(2)20-9-12-34(13-10-20)14-11-28(29,30)31/h5-8,15,18,20H,9-14,16H2,1-4H3,(H,32,37)(H,33,36)/t18-/m1/s1
InChIKeyDOXCPKIQRWLNFN-GOSISDBHSA-N
MW532.61 g/mol
LogP5.11
Rot. Bonds8

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

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethyl]indole-3-carboxamide (PubChem CID 162643900) has the molecular formula C28H35F3N4O3 and a molecular weight of 532.61 g/mol. Its IUPAC name is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethyl]indole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethyl]indole-3-carboxamide
PubChem CID162643900
Molecular FormulaC28H35F3N4O3
Molecular Weight532.61 g/mol
Exact Mass532.27
IUPAC NameN-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethyl]indole-3-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CCC(F)(F)F)CC2)c2ccccc12
InChIInChI=1S/C28H35F3N4O3/c1-17-15-24(38-4)22(26(36)33-17)16-32-27(37)25-19(3)35(23-8-6-5-7-21(23)25)18(2)20-9-12-34(13-10-20)14-11-28(29,30)31/h5-8,15,18,20H,9-14,16H2,1-4H3,(H,32,37)(H,33,36)/t18-/m1/s1
InChIKeyDOXCPKIQRWLNFN-GOSISDBHSA-N
XLogP5.11
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.61
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethyl]indole-3-carboxamide?
The IUPAC name of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethyl]indole-3-carboxamide (CID 162643900) is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethyl]indole-3-carboxamide.
What is the SMILES notation for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethyl]indole-3-carboxamide?
The canonical SMILES for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethyl]indole-3-carboxamide is COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CCC(F)(F)F)CC2)c2ccccc12.
What is the InChIKey of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethyl]indole-3-carboxamide?
The InChIKey is DOXCPKIQRWLNFN-GOSISDBHSA-N. The full InChI is InChI=1S/C28H35F3N4O3/c1-17-15-24(38-4)22(26(36)33-17)16-32-27(37)25-19(3)35(23-8-6-5-7-21(23)25)18(2)20-9-12-34(13-10-20)14-11-28(29,30)31/h5-8,15,18,20H,9-14,16H2,1-4H3,(H,32,37)(H,33,36)/t18-/m1/s1.
What are the key properties of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethyl]indole-3-carboxamide?
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethyl]indole-3-carboxamide has a molecular weight of 532.61 g/mol, XLogP of 5.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethyl]indole-3-carboxamide is sourced from PubChem (CID 162643900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).