3,3,3-trifluoro-N-methyl-N-piperidin-3-ylpropanamide;3,3,3-trifluoro-N-methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]propanamide

C28H35F6N7O2 — CID 157406909

IUPAC3,3,3-trifluoro-N-methyl-N-piperidin-3-ylpropanamide;3,3,3-trifluoro-N-methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]propanamide
SMILESCN(C(=O)CC(F)(F)F)C1CCCN(c2cc[nH]c3cnc4nccc4c23)C1.CN(C(=O)CC(F)(F)F)C1CCCNC1
InChIInChI=1S/C19H20F3N5O.C9H15F3N2O/c1-26(16(28)9-19(20,21)22)12-3-2-8-27(11-12)15-5-7-23-14-10-25-18-13(17(14)15)4-6-24-18;1-14(7-3-2-4-13-6-7)8(15)5-9(10,11)12/h4-7,10,12,23H,2-3,8-9,11H2,1H3;7,13H,2-6H2,1H3
InChIKeyGIZNZRIPCWXYTP-UHFFFAOYSA-N
MW615.62 g/mol
LogP4.64
Rot. Bonds5

About 3,3,3-trifluoro-N-methyl-N-piperidin-3-ylpropanamide;3,3,3-trifluoro-N-methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]propanamide

3,3,3-trifluoro-N-methyl-N-piperidin-3-ylpropanamide;3,3,3-trifluoro-N-methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]propanamide (PubChem CID 157406909) has the molecular formula C28H35F6N7O2 and a molecular weight of 615.62 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methyl-N-piperidin-3-ylpropanamide;3,3,3-trifluoro-N-methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methyl-N-piperidin-3-ylpropanamide;3,3,3-trifluoro-N-methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]propanamide
PubChem CID157406909
Molecular FormulaC28H35F6N7O2
Molecular Weight615.62 g/mol
Exact Mass615.28
IUPAC Name3,3,3-trifluoro-N-methyl-N-piperidin-3-ylpropanamide;3,3,3-trifluoro-N-methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]propanamide
SMILESCN(C(=O)CC(F)(F)F)C1CCCN(c2cc[nH]c3cnc4nccc4c23)C1.CN(C(=O)CC(F)(F)F)C1CCCNC1
InChIInChI=1S/C19H20F3N5O.C9H15F3N2O/c1-26(16(28)9-19(20,21)22)12-3-2-8-27(11-12)15-5-7-23-14-10-25-18-13(17(14)15)4-6-24-18;1-14(7-3-2-4-13-6-7)8(15)5-9(10,11)12/h4-7,10,12,23H,2-3,8-9,11H2,1H3;7,13H,2-6H2,1H3
InChIKeyGIZNZRIPCWXYTP-UHFFFAOYSA-N
XLogP4.64
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500615.62
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3,3,3-trifluoro-N-methyl-N-piperidin-3-ylpropanamide;3,3,3-trifluoro-N-methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]propanamide with MolForge

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Related Compounds

1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 159196593
methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]boronamidic acid
CID 136610775
1-[propan-2-yl-[[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]carbamoyl]amino]-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 136992732
N-[1-[2-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-4-yl]acetyl]piperidin-3-yl]methanesulfonamide
CID 137211045
N-[1-[2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperazin-1-yl]acetyl]piperidin-3-yl]methanesulfonamide
CID 137210975
1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)-N-(3,3,3-trifluoropropyl)piperidine-3-carboxamide
CID 140686230
1-[2-[cyclopropyl(methyl)amino]-4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)cyclohexyl]propan-1-one
CID 174702373
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
4,4,4-trifluoro-N-[1-(5,7,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,10-hexaen-13-yl)piperidin-3-yl]butanamide
CID 136631321
N-methyl-N-[(3S)-piperidin-3-yl]propanamide
CID 93313714
N-methyl-N-piperidin-3-yl-1,2-oxazole-5-carboxamide
CID 63643873
1-(5,7,8,10,11-pentazatricyclo[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 140686244

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-methyl-N-piperidin-3-ylpropanamide;3,3,3-trifluoro-N-methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-methyl-N-piperidin-3-ylpropanamide;3,3,3-trifluoro-N-methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]propanamide (CID 157406909) is 3,3,3-trifluoro-N-methyl-N-piperidin-3-ylpropanamide;3,3,3-trifluoro-N-methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-methyl-N-piperidin-3-ylpropanamide;3,3,3-trifluoro-N-methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-methyl-N-piperidin-3-ylpropanamide;3,3,3-trifluoro-N-methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]propanamide is CN(C(=O)CC(F)(F)F)C1CCCN(c2cc[nH]c3cnc4nccc4c23)C1.CN(C(=O)CC(F)(F)F)C1CCCNC1.
What is the InChIKey of 3,3,3-trifluoro-N-methyl-N-piperidin-3-ylpropanamide;3,3,3-trifluoro-N-methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]propanamide?
The InChIKey is GIZNZRIPCWXYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O.C9H15F3N2O/c1-26(16(28)9-19(20,21)22)12-3-2-8-27(11-12)15-5-7-23-14-10-25-18-13(17(14)15)4-6-24-18;1-14(7-3-2-4-13-6-7)8(15)5-9(10,11)12/h4-7,10,12,23H,2-3,8-9,11H2,1H3;7,13H,2-6H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-methyl-N-piperidin-3-ylpropanamide;3,3,3-trifluoro-N-methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]propanamide?
3,3,3-trifluoro-N-methyl-N-piperidin-3-ylpropanamide;3,3,3-trifluoro-N-methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]propanamide has a molecular weight of 615.62 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-methyl-N-piperidin-3-ylpropanamide;3,3,3-trifluoro-N-methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]propanamide is sourced from PubChem (CID 157406909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).