6-methyl-1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C19H20F3N5O — CID 140632553

IUPAC6-methyl-1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCC1CCC(C(=O)NCC(F)(F)F)CN1c1cncc2cnc3[nH]ccc3c12
InChIInChI=1S/C19H20F3N5O/c1-11-2-3-12(18(28)26-10-19(20,21)22)9-27(11)15-8-23-6-13-7-25-17-14(16(13)15)4-5-24-17/h4-8,11-12H,2-3,9-10H2,1H3,(H,24,25)(H,26,28)
InChIKeyJPKQHNTXUMIQAU-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.39
Rot. Bonds3

About 6-methyl-1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

6-methyl-1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 140632553) has the molecular formula C19H20F3N5O and a molecular weight of 391.40 g/mol. Its IUPAC name is 6-methyl-1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID140632553
Molecular FormulaC19H20F3N5O
Molecular Weight391.40 g/mol
Exact Mass391.16
IUPAC Name6-methyl-1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCC1CCC(C(=O)NCC(F)(F)F)CN1c1cncc2cnc3[nH]ccc3c12
InChIInChI=1S/C19H20F3N5O/c1-11-2-3-12(18(28)26-10-19(20,21)22)9-27(11)15-8-23-6-13-7-25-17-14(16(13)15)4-5-24-17/h4-8,11-12H,2-3,9-10H2,1H3,(H,24,25)(H,26,28)
InChIKeyJPKQHNTXUMIQAU-UHFFFAOYSA-N
XLogP3.39
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 123985967
6-methyl-1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 137158623
2,2,2-trifluoro-N-[1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)pyrrolidin-3-yl]ethanesulfonamide
CID 123226752
4-[[(3R)-3-(2,2,2-trifluoroethylcarbamoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 155032790
[1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)piperidin-3-yl] N-(cyanomethyl)carbamate
CID 130362117
4-[[(4S)-4-(2,2,2-trifluoroethylcarbamoyl)azepan-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 155032831
1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 140686247
4-[[(2S)-2-methyl-5-[(2,2,2-trifluoroethylamino)methyl]piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 163851016
N-(cyanomethyl)-1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidine-3-carboxamide
CID 88937848
carbanide;3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-N-(2,2,2-trifluoroethyl)-3-azaspiro[5.5]undecane-9-carboxamide;tungsten
CID 159553089
3-ethyl-N-(2,2,2-trifluoroethyl)-4-[[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]pyrrolidine-1-carboxamide
CID 155108937
4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide
CID 122432366

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 6-methyl-1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 140632553) is 6-methyl-1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 6-methyl-1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 6-methyl-1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CC1CCC(C(=O)NCC(F)(F)F)CN1c1cncc2cnc3[nH]ccc3c12.
What is the InChIKey of 6-methyl-1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is JPKQHNTXUMIQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O/c1-11-2-3-12(18(28)26-10-19(20,21)22)9-27(11)15-8-23-6-13-7-25-17-14(16(13)15)4-5-24-17/h4-8,11-12H,2-3,9-10H2,1H3,(H,24,25)(H,26,28).
What are the key properties of 6-methyl-1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
6-methyl-1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 391.40 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 140632553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).