N-[[1-(difluoromethyl)indol-3-yl]methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide

C22H24F2N4O — CID 146099784

IUPACN-[[1-(difluoromethyl)indol-3-yl]methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCN(c2ccc(C(=O)NCc3cn(C(F)F)c4ccccc34)cn2)CC1
InChIInChI=1S/C22H24F2N4O/c1-15-8-10-27(11-9-15)20-7-6-16(12-25-20)21(29)26-13-17-14-28(22(23)24)19-5-3-2-4-18(17)19/h2-7,12,14-15,22H,8-11,13H2,1H3,(H,26,29)
InChIKeyYETARMMYWFPZTO-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.60
Rot. Bonds5

About N-[[1-(difluoromethyl)indol-3-yl]methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide

N-[[1-(difluoromethyl)indol-3-yl]methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide (PubChem CID 146099784) has the molecular formula C22H24F2N4O and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)indol-3-yl]methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)indol-3-yl]methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
PubChem CID146099784
Molecular FormulaC22H24F2N4O
Molecular Weight398.46 g/mol
Exact Mass398.19
IUPAC NameN-[[1-(difluoromethyl)indol-3-yl]methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCN(c2ccc(C(=O)NCc3cn(C(F)F)c4ccccc34)cn2)CC1
InChIInChI=1S/C22H24F2N4O/c1-15-8-10-27(11-9-15)20-7-6-16(12-25-20)21(29)26-13-17-14-28(22(23)24)19-5-3-2-4-18(17)19/h2-7,12,14-15,22H,8-11,13H2,1H3,(H,26,29)
InChIKeyYETARMMYWFPZTO-UHFFFAOYSA-N
XLogP4.60
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)indol-3-yl]methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[[1-(difluoromethyl)indol-3-yl]methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide (CID 146099784) is N-[[1-(difluoromethyl)indol-3-yl]methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(difluoromethyl)indol-3-yl]methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[[1-(difluoromethyl)indol-3-yl]methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide is CC1CCN(c2ccc(C(=O)NCc3cn(C(F)F)c4ccccc34)cn2)CC1.
What is the InChIKey of N-[[1-(difluoromethyl)indol-3-yl]methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?
The InChIKey is YETARMMYWFPZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O/c1-15-8-10-27(11-9-15)20-7-6-16(12-25-20)21(29)26-13-17-14-28(22(23)24)19-5-3-2-4-18(17)19/h2-7,12,14-15,22H,8-11,13H2,1H3,(H,26,29).
What are the key properties of N-[[1-(difluoromethyl)indol-3-yl]methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?
N-[[1-(difluoromethyl)indol-3-yl]methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)indol-3-yl]methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 146099784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).