N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[5-(methoxymethyl)-2-pyridinyl]-2-pyridinyl]acetamide

C20H20F2N6O2 — CID 170730646

IUPACN-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[5-(methoxymethyl)-2-pyridinyl]-2-pyridinyl]acetamide
SMILESCOCc1ccc(-c2cnc(NC(C)=O)cc2Nc2ccnc(C(C)(F)F)n2)nc1
InChIInChI=1S/C20H20F2N6O2/c1-12(29)26-18-8-16(27-17-6-7-23-19(28-17)20(2,21)22)14(10-25-18)15-5-4-13(9-24-15)11-30-3/h4-10H,11H2,1-3H3,(H2,23,25,26,27,28,29)
InChIKeyYOEAMEQIZSJWAU-UHFFFAOYSA-N
MW414.42 g/mol
LogP3.89
Rot. Bonds7

About N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[5-(methoxymethyl)-2-pyridinyl]-2-pyridinyl]acetamide

N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[5-(methoxymethyl)-2-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 170730646) has the molecular formula C20H20F2N6O2 and a molecular weight of 414.42 g/mol. Its IUPAC name is N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[5-(methoxymethyl)-2-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[5-(methoxymethyl)-2-pyridinyl]-2-pyridinyl]acetamide
PubChem CID170730646
Molecular FormulaC20H20F2N6O2
Molecular Weight414.42 g/mol
Exact Mass414.16
IUPAC NameN-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[5-(methoxymethyl)-2-pyridinyl]-2-pyridinyl]acetamide
SMILESCOCc1ccc(-c2cnc(NC(C)=O)cc2Nc2ccnc(C(C)(F)F)n2)nc1
InChIInChI=1S/C20H20F2N6O2/c1-12(29)26-18-8-16(27-17-6-7-23-19(28-17)20(2,21)22)14(10-25-18)15-5-4-13(9-24-15)11-30-3/h4-10H,11H2,1-3H3,(H2,23,25,26,27,28,29)
InChIKeyYOEAMEQIZSJWAU-UHFFFAOYSA-N
XLogP3.89
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[5-(methoxymethyl)-2-pyridinyl]-2-pyridinyl]acetamide with MolForge

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Related Compounds

(16E)-14-methyl-19-oxa-5,7,14,23,27-pentazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene
CID 16739951
(16E)-14,19-dioxa-5,7,23,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene
CID 16750331
1-[4-(14,19-Dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaen-11-yl)piperazin-1-yl]ethanone
CID 73346758
5-[2-Morpholin-4-yl-6-(2-phenylmorpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 59507503
5-((4-Ethyl-6-(6-methoxypyridin-3-yl)pyrimidin-5-yl)ethynyl)pyridin-2-amine
CID 58072692
N-[4-[(2R)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 68325427
US10202371, Example 4
CID 75201316
US10202371, Example 5
CID 75201318
US10202371, Example 8
CID 75201324
US10202371, Example 9
CID 75201325
US10745383, Example 8
CID 134561930
1-(9-Methyl-5,7,8,9-tetrahydro-6H-pyrido[3',4':4,5]pyrrolo[2,3-b]pyridin-2-yl)-4-((6-(trifluoromethyl)pyridin-3-yl)methoxy)pyridin-2(1H)-one hydrochloride
CID 67970226

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[5-(methoxymethyl)-2-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[5-(methoxymethyl)-2-pyridinyl]-2-pyridinyl]acetamide (CID 170730646) is N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[5-(methoxymethyl)-2-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[5-(methoxymethyl)-2-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[5-(methoxymethyl)-2-pyridinyl]-2-pyridinyl]acetamide is COCc1ccc(-c2cnc(NC(C)=O)cc2Nc2ccnc(C(C)(F)F)n2)nc1.
What is the InChIKey of N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[5-(methoxymethyl)-2-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is YOEAMEQIZSJWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N6O2/c1-12(29)26-18-8-16(27-17-6-7-23-19(28-17)20(2,21)22)14(10-25-18)15-5-4-13(9-24-15)11-30-3/h4-10H,11H2,1-3H3,(H2,23,25,26,27,28,29).
What are the key properties of N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[5-(methoxymethyl)-2-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[5-(methoxymethyl)-2-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 414.42 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[5-(methoxymethyl)-2-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 170730646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).