[5-amino-4-[amino-(3-fluoro-2-pyridinyl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone

C19H19F4N5O — CID 134547264

IUPAC[5-amino-4-[amino-(3-fluoro-2-pyridinyl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone
SMILESCc1c(C(=O)N2CCC(N(N)c3ncccc3F)=C(N)C2)cccc1C(F)(F)F
InChIInChI=1S/C19H19F4N5O/c1-11-12(4-2-5-13(11)19(21,22)23)18(29)27-9-7-16(15(24)10-27)28(25)17-14(20)6-3-8-26-17/h2-6,8H,7,9-10,24-25H2,1H3
InChIKeyXJOOGRKWECMOJX-UHFFFAOYSA-N
MW409.39 g/mol
LogP2.94
Rot. Bonds3

About [5-amino-4-[amino-(3-fluoro-2-pyridinyl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone

[5-amino-4-[amino-(3-fluoro-2-pyridinyl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone (PubChem CID 134547264) has the molecular formula C19H19F4N5O and a molecular weight of 409.39 g/mol. Its IUPAC name is [5-amino-4-[amino-(3-fluoro-2-pyridinyl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[5-amino-4-[amino-(3-fluoro-2-pyridinyl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone
PubChem CID134547264
Molecular FormulaC19H19F4N5O
Molecular Weight409.39 g/mol
Exact Mass409.15
IUPAC Name[5-amino-4-[amino-(3-fluoro-2-pyridinyl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone
SMILESCc1c(C(=O)N2CCC(N(N)c3ncccc3F)=C(N)C2)cccc1C(F)(F)F
InChIInChI=1S/C19H19F4N5O/c1-11-12(4-2-5-13(11)19(21,22)23)18(29)27-9-7-16(15(24)10-27)28(25)17-14(20)6-3-8-26-17/h2-6,8H,7,9-10,24-25H2,1H3
InChIKeyXJOOGRKWECMOJX-UHFFFAOYSA-N
XLogP2.94
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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4-[(4-Fluoro-3-{[4-(pyridin-2-yl)piperazin-1-yl]carbonyl}phenyl)methyl]-1,2-dihydrophthalazin-1-one
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Phenylcarbonyl piperazine, 3
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4-[[3,4-difluoro-5-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
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2-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of [5-amino-4-[amino-(3-fluoro-2-pyridinyl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [5-amino-4-[amino-(3-fluoro-2-pyridinyl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone (CID 134547264) is [5-amino-4-[amino-(3-fluoro-2-pyridinyl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [5-amino-4-[amino-(3-fluoro-2-pyridinyl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [5-amino-4-[amino-(3-fluoro-2-pyridinyl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone is Cc1c(C(=O)N2CCC(N(N)c3ncccc3F)=C(N)C2)cccc1C(F)(F)F.
What is the InChIKey of [5-amino-4-[amino-(3-fluoro-2-pyridinyl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone?
The InChIKey is XJOOGRKWECMOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4N5O/c1-11-12(4-2-5-13(11)19(21,22)23)18(29)27-9-7-16(15(24)10-27)28(25)17-14(20)6-3-8-26-17/h2-6,8H,7,9-10,24-25H2,1H3.
What are the key properties of [5-amino-4-[amino-(3-fluoro-2-pyridinyl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone?
[5-amino-4-[amino-(3-fluoro-2-pyridinyl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone has a molecular weight of 409.39 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-4-[amino-(3-fluoro-2-pyridinyl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 134547264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).