N-[4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]-5-(5-fluoropyrimidin-2-yl)-2-pyridinyl]acetamide

C19H18F2N6O — CID 170730841

IUPACN-[4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]-5-(5-fluoropyrimidin-2-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2ccnc(C(C)(C)F)c2)c(-c2ncc(F)cn2)cn1
InChIInChI=1S/C19H18F2N6O/c1-11(28)26-17-7-15(14(10-23-17)18-24-8-12(20)9-25-18)27-13-4-5-22-16(6-13)19(2,3)21/h4-10H,1-3H3,(H2,22,23,26,27,28)
InChIKeyMQDWJNJACGOBDP-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.98
Rot. Bonds5

About N-[4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]-5-(5-fluoropyrimidin-2-yl)-2-pyridinyl]acetamide

N-[4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]-5-(5-fluoropyrimidin-2-yl)-2-pyridinyl]acetamide (PubChem CID 170730841) has the molecular formula C19H18F2N6O and a molecular weight of 384.39 g/mol. Its IUPAC name is N-[4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]-5-(5-fluoropyrimidin-2-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]-5-(5-fluoropyrimidin-2-yl)-2-pyridinyl]acetamide
PubChem CID170730841
Molecular FormulaC19H18F2N6O
Molecular Weight384.39 g/mol
Exact Mass384.15
IUPAC NameN-[4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]-5-(5-fluoropyrimidin-2-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2ccnc(C(C)(C)F)c2)c(-c2ncc(F)cn2)cn1
InChIInChI=1S/C19H18F2N6O/c1-11(28)26-17-7-15(14(10-23-17)18-24-8-12(20)9-25-18)27-13-4-5-22-16(6-13)19(2,3)21/h4-10H,1-3H3,(H2,22,23,26,27,28)
InChIKeyMQDWJNJACGOBDP-UHFFFAOYSA-N
XLogP3.98
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]-5-(5-fluoropyrimidin-2-yl)-2-pyridinyl]acetamide with MolForge

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Related Compounds

N-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide
CID 166918898
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(5-fluoro-2-pyridinyl)-2-pyridinyl]acetamide
CID 175990690
N-[4-(3-fluoro-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918388
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(4-methyl-2-pyridinyl)-2-pyridinyl]acetamide
CID 175991044
N-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(6-methoxypyrimidin-4-yl)-2-pyridinyl]acetamide
CID 170730874
N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methoxy-5-methylsulfonylanilino)-2-pyridinyl]acetamide
CID 166918948
N-[5-(2,6-dimethylpyrimidin-4-yl)-4-(3-methylsulfonylanilino)-2-pyridinyl]acetamide
CID 166918888
N-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-5-ethoxy-2-pyridinyl]acetamide
CID 170731033
6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-N-ethyl-4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxamide
CID 142557686
N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(3-methylsulfonyl-5-propan-2-yloxyanilino)-2-pyridinyl]acetamide
CID 166918885
N-[4-[[2-(2-fluoropropan-2-yl)-6-methylpyrimidin-4-yl]amino]-5-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-2-pyridinyl]acetamide
CID 170730858
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[5-(difluoromethoxy)-2-pyridinyl]-2-pyridinyl]acetamide
CID 175990883

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]-5-(5-fluoropyrimidin-2-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]-5-(5-fluoropyrimidin-2-yl)-2-pyridinyl]acetamide (CID 170730841) is N-[4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]-5-(5-fluoropyrimidin-2-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]-5-(5-fluoropyrimidin-2-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]-5-(5-fluoropyrimidin-2-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2ccnc(C(C)(C)F)c2)c(-c2ncc(F)cn2)cn1.
What is the InChIKey of N-[4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]-5-(5-fluoropyrimidin-2-yl)-2-pyridinyl]acetamide?
The InChIKey is MQDWJNJACGOBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6O/c1-11(28)26-17-7-15(14(10-23-17)18-24-8-12(20)9-25-18)27-13-4-5-22-16(6-13)19(2,3)21/h4-10H,1-3H3,(H2,22,23,26,27,28).
What are the key properties of N-[4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]-5-(5-fluoropyrimidin-2-yl)-2-pyridinyl]acetamide?
N-[4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]-5-(5-fluoropyrimidin-2-yl)-2-pyridinyl]acetamide has a molecular weight of 384.39 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]-5-(5-fluoropyrimidin-2-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 170730841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).