N-[5-amino-6-(2,2-difluoroethoxy)-2-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]prop-2-enamide

C15H23F2N5O2 — CID 130205916

IUPACN-[5-amino-6-(2,2-difluoroethoxy)-2-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(N)c(OCC(F)F)nc1N(C)CCN(C)C
InChIInChI=1S/C15H23F2N5O2/c1-5-13(23)19-11-8-10(18)15(24-9-12(16)17)20-14(11)22(4)7-6-21(2)3/h5,8,12H,1,6-7,9,18H2,2-4H3,(H,19,23)
InChIKeyUZUMUXPKQMYVIN-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.43
Rot. Bonds9

About N-[5-amino-6-(2,2-difluoroethoxy)-2-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]prop-2-enamide

N-[5-amino-6-(2,2-difluoroethoxy)-2-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]prop-2-enamide (PubChem CID 130205916) has the molecular formula C15H23F2N5O2 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[5-amino-6-(2,2-difluoroethoxy)-2-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-amino-6-(2,2-difluoroethoxy)-2-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]prop-2-enamide
PubChem CID130205916
Molecular FormulaC15H23F2N5O2
Molecular Weight343.38 g/mol
Exact Mass343.18
IUPAC NameN-[5-amino-6-(2,2-difluoroethoxy)-2-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(N)c(OCC(F)F)nc1N(C)CCN(C)C
InChIInChI=1S/C15H23F2N5O2/c1-5-13(23)19-11-8-10(18)15(24-9-12(16)17)20-14(11)22(4)7-6-21(2)3/h5,8,12H,1,6-7,9,18H2,2-4H3,(H,19,23)
InChIKeyUZUMUXPKQMYVIN-UHFFFAOYSA-N
XLogP1.43
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3-Amino-6-methoxypyridin-2-yl)piperazin-1-yl]ethan-1-one
CID 47003077
N-[2-Methoxy-6-(4-methylpiperazin-1-yl)pyridin-3-yl]prop-2-enamide
CID 137931039
2-Methoxy-6-(morpholin-4-yl)pyridin-3-amine
CID 12152132
N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]acetamide
CID 52845163
2-N-[2-(dimethylamino)ethyl]-2-N-methyl-3-nitro-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine
CID 118861409
N-[6-[2-(dimethylamino)ethyl-methylamino]-5-nitro-2-(2,2,2-trifluoroethoxy)pyridin-3-yl]acetamide
CID 129239766
4-Acetamido-1-[6-(2,2,2-trifluoro) ethoxy-2-pyridyl]piperidine
CID 12926619
4-[[6-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]-2-pyridinyl]oxy]butanamide
CID 13883829
1-[6-[3-(5-methyl-6-oxo-1H-pyrimidin-2-yl)propoxy]-2-pyridinyl]-2-(2,2,2-trifluoroethyl)guanidine
CID 21279825
1-[4-[(2-Amino-6-methoxypyridin-3-yl)amino]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 57502949
7-methoxy-1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-5H-pyrido[2,3-b][1,4]diazepine-2,4-dione
CID 57502950
2,2,2-Trifluoro-1-[4-[[6-methoxy-3-(methylamino)pyridin-2-yl]amino]piperidin-1-yl]ethanone
CID 59159343

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-6-(2,2-difluoroethoxy)-2-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]prop-2-enamide?
The IUPAC name of N-[5-amino-6-(2,2-difluoroethoxy)-2-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]prop-2-enamide (CID 130205916) is N-[5-amino-6-(2,2-difluoroethoxy)-2-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for N-[5-amino-6-(2,2-difluoroethoxy)-2-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]prop-2-enamide?
The canonical SMILES for N-[5-amino-6-(2,2-difluoroethoxy)-2-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]prop-2-enamide is C=CC(=O)Nc1cc(N)c(OCC(F)F)nc1N(C)CCN(C)C.
What is the InChIKey of N-[5-amino-6-(2,2-difluoroethoxy)-2-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]prop-2-enamide?
The InChIKey is UZUMUXPKQMYVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N5O2/c1-5-13(23)19-11-8-10(18)15(24-9-12(16)17)20-14(11)22(4)7-6-21(2)3/h5,8,12H,1,6-7,9,18H2,2-4H3,(H,19,23).
What are the key properties of N-[5-amino-6-(2,2-difluoroethoxy)-2-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]prop-2-enamide?
N-[5-amino-6-(2,2-difluoroethoxy)-2-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]prop-2-enamide has a molecular weight of 343.38 g/mol, XLogP of 1.43, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-6-(2,2-difluoroethoxy)-2-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 130205916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).