6-[(3-aminooxan-4-yl)amino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide

C17H21FN6O2 — CID 77402328

IUPAC6-[(3-aminooxan-4-yl)amino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide
SMILESCc1cncc(Nc2nc(NC3CCOCC3N)c(F)cc2C(N)=O)c1
InChIInChI=1S/C17H21FN6O2/c1-9-4-10(7-21-6-9)22-16-11(15(20)25)5-12(18)17(24-16)23-14-2-3-26-8-13(14)19/h4-7,13-14H,2-3,8,19H2,1H3,(H2,20,25)(H2,22,23,24)
InChIKeyBQIKPQDGXSLACR-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.29
Rot. Bonds5

About 6-[(3-aminooxan-4-yl)amino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide

6-[(3-aminooxan-4-yl)amino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide (PubChem CID 77402328) has the molecular formula C17H21FN6O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is 6-[(3-aminooxan-4-yl)amino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3-aminooxan-4-yl)amino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide
PubChem CID77402328
Molecular FormulaC17H21FN6O2
Molecular Weight360.39 g/mol
Exact Mass360.17
IUPAC Name6-[(3-aminooxan-4-yl)amino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide
SMILESCc1cncc(Nc2nc(NC3CCOCC3N)c(F)cc2C(N)=O)c1
InChIInChI=1S/C17H21FN6O2/c1-9-4-10(7-21-6-9)22-16-11(15(20)25)5-12(18)17(24-16)23-14-2-3-26-8-13(14)19/h4-7,13-14H,2-3,8,19H2,1H3,(H2,20,25)(H2,22,23,24)
InChIKeyBQIKPQDGXSLACR-UHFFFAOYSA-N
XLogP1.29
TPSA128.18 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-[(3-aminooxan-4-yl)amino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N11-Isopropyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453313
Dipyridodiazepinone deriv. 21
CID 463148
Dipyridodiazepinone deriv. 23
CID 463150
Dipyridodiazepinone deriv. 24
CID 463151
Dipyridodiazepinone deriv. 26
CID 463546
3-Pyridinecarboxamide, 2-(4-morpholinyl)-N-phenyl-
CID 714698
Dipyridodiazepinone deriv. 13
CID 463142
Dipyridodiazepinone deriv. 20
CID 463147
2-{[(3r,4r)-3-Aminotetrahydro-2h-Pyran-4-Yl]amino}-4-[(4-Methylphenyl)amino]pyrimidine-5-Carboxamide
CID 46865656
5-[[(2R)-2-amino-3-methoxypropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide
CID 89486768
N11-Cyclopentyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453311
Nevirapin 4-substituted deriv. 4j
CID 464530

Frequently Asked Questions

What is the IUPAC name of 6-[(3-aminooxan-4-yl)amino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-[(3-aminooxan-4-yl)amino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide (CID 77402328) is 6-[(3-aminooxan-4-yl)amino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3-aminooxan-4-yl)amino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[(3-aminooxan-4-yl)amino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide is Cc1cncc(Nc2nc(NC3CCOCC3N)c(F)cc2C(N)=O)c1.
What is the InChIKey of 6-[(3-aminooxan-4-yl)amino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide?
The InChIKey is BQIKPQDGXSLACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN6O2/c1-9-4-10(7-21-6-9)22-16-11(15(20)25)5-12(18)17(24-16)23-14-2-3-26-8-13(14)19/h4-7,13-14H,2-3,8,19H2,1H3,(H2,20,25)(H2,22,23,24).
What are the key properties of 6-[(3-aminooxan-4-yl)amino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide?
6-[(3-aminooxan-4-yl)amino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 1.29, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-aminooxan-4-yl)amino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 77402328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).