[5-carbamoyl-3-fluoro-6-[(5-fluoro-3-pyridinyl)amino]-2-pyridinyl]-dimethyl-[3-(methylamino)oxan-4-yl]azanium

C19H25F2N6O2+ — CID 123428846

IUPAC[5-carbamoyl-3-fluoro-6-[(5-fluoro-3-pyridinyl)amino]-2-pyridinyl]-dimethyl-[3-(methylamino)oxan-4-yl]azanium
SMILESCNC1COCCC1[N+](C)(C)c1nc(Nc2cncc(F)c2)c(C(N)=O)cc1F
InChIInChI=1S/C19H24F2N6O2/c1-23-15-10-29-5-4-16(15)27(2,3)19-14(21)7-13(17(22)28)18(26-19)25-12-6-11(20)8-24-9-12/h6-9,15-16,23H,4-5,10H2,1-3H3,(H2-,22,25,26,28)/p+1
InChIKeySGRPGVVMYXDGJO-UHFFFAOYSA-O
MW407.45 g/mol
LogP1.54
Rot. Bonds6

About [5-carbamoyl-3-fluoro-6-[(5-fluoro-3-pyridinyl)amino]-2-pyridinyl]-dimethyl-[3-(methylamino)oxan-4-yl]azanium

[5-carbamoyl-3-fluoro-6-[(5-fluoro-3-pyridinyl)amino]-2-pyridinyl]-dimethyl-[3-(methylamino)oxan-4-yl]azanium (PubChem CID 123428846) has the molecular formula C19H25F2N6O2+ and a molecular weight of 407.45 g/mol. Its IUPAC name is [5-carbamoyl-3-fluoro-6-[(5-fluoro-3-pyridinyl)amino]-2-pyridinyl]-dimethyl-[3-(methylamino)oxan-4-yl]azanium.

Molecular Properties

Compound Name[5-carbamoyl-3-fluoro-6-[(5-fluoro-3-pyridinyl)amino]-2-pyridinyl]-dimethyl-[3-(methylamino)oxan-4-yl]azanium
PubChem CID123428846
Molecular FormulaC19H25F2N6O2+
Molecular Weight407.45 g/mol
Exact Mass407.20
IUPAC Name[5-carbamoyl-3-fluoro-6-[(5-fluoro-3-pyridinyl)amino]-2-pyridinyl]-dimethyl-[3-(methylamino)oxan-4-yl]azanium
SMILESCNC1COCCC1[N+](C)(C)c1nc(Nc2cncc(F)c2)c(C(N)=O)cc1F
InChIInChI=1S/C19H24F2N6O2/c1-23-15-10-29-5-4-16(15)27(2,3)19-14(21)7-13(17(22)28)18(26-19)25-12-6-11(20)8-24-9-12/h6-9,15-16,23H,4-5,10H2,1-3H3,(H2-,22,25,26,28)/p+1
InChIKeySGRPGVVMYXDGJO-UHFFFAOYSA-O
XLogP1.54
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

[5-carbamoyl-3-fluoro-6-[[5-(1,3-thiazol-2-yl)-3-pyridinyl]amino]-2-pyridinyl]-dimethyl-[2-(methylamino)cyclohexyl]azanium
CID 123334444
[5-carbamoyl-3-fluoro-6-(4-methylanilino)-2-pyridinyl]-dimethyl-[2-(methylamino)cyclohexyl]azanium
CID 123145499
6-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide
CID 67509276
6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide
CID 67509232
5-fluoro-2-[(5-imidazol-1-yl-3-pyridinyl)amino]-6-[[(1R,2S)-2-(methylamino)cyclohexyl]amino]pyridine-3-carboxamide
CID 129192209
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide
CID 69284851
6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide
CID 67775471
5-[(5-fluoro-3-pyridinyl)amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxamide
CID 140627297
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoropyridine-3-carboxamide
CID 69284997
6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(1,2-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide
CID 68624943
6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[[5-(1,3-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide
CID 152912147
6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyridine-3-carboxamide
CID 135305758

Frequently Asked Questions

What is the IUPAC name of [5-carbamoyl-3-fluoro-6-[(5-fluoro-3-pyridinyl)amino]-2-pyridinyl]-dimethyl-[3-(methylamino)oxan-4-yl]azanium?
The IUPAC name of [5-carbamoyl-3-fluoro-6-[(5-fluoro-3-pyridinyl)amino]-2-pyridinyl]-dimethyl-[3-(methylamino)oxan-4-yl]azanium (CID 123428846) is [5-carbamoyl-3-fluoro-6-[(5-fluoro-3-pyridinyl)amino]-2-pyridinyl]-dimethyl-[3-(methylamino)oxan-4-yl]azanium.
What is the SMILES notation for [5-carbamoyl-3-fluoro-6-[(5-fluoro-3-pyridinyl)amino]-2-pyridinyl]-dimethyl-[3-(methylamino)oxan-4-yl]azanium?
The canonical SMILES for [5-carbamoyl-3-fluoro-6-[(5-fluoro-3-pyridinyl)amino]-2-pyridinyl]-dimethyl-[3-(methylamino)oxan-4-yl]azanium is CNC1COCCC1[N+](C)(C)c1nc(Nc2cncc(F)c2)c(C(N)=O)cc1F.
What is the InChIKey of [5-carbamoyl-3-fluoro-6-[(5-fluoro-3-pyridinyl)amino]-2-pyridinyl]-dimethyl-[3-(methylamino)oxan-4-yl]azanium?
The InChIKey is SGRPGVVMYXDGJO-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24F2N6O2/c1-23-15-10-29-5-4-16(15)27(2,3)19-14(21)7-13(17(22)28)18(26-19)25-12-6-11(20)8-24-9-12/h6-9,15-16,23H,4-5,10H2,1-3H3,(H2-,22,25,26,28)/p+1.
What are the key properties of [5-carbamoyl-3-fluoro-6-[(5-fluoro-3-pyridinyl)amino]-2-pyridinyl]-dimethyl-[3-(methylamino)oxan-4-yl]azanium?
[5-carbamoyl-3-fluoro-6-[(5-fluoro-3-pyridinyl)amino]-2-pyridinyl]-dimethyl-[3-(methylamino)oxan-4-yl]azanium has a molecular weight of 407.45 g/mol, XLogP of 1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-carbamoyl-3-fluoro-6-[(5-fluoro-3-pyridinyl)amino]-2-pyridinyl]-dimethyl-[3-(methylamino)oxan-4-yl]azanium is sourced from PubChem (CID 123428846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).