3-[2-[[6-(5-fluoro-6-methyl-3-pyridinyl)-2-pyridinyl]amino]-2-oxoethyl]-5-(methylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazole-4-carboxamide

C22H22FN9O3 — CID 146490012

IUPAC3-[2-[[6-(5-fluoro-6-methyl-3-pyridinyl)-2-pyridinyl]amino]-2-oxoethyl]-5-(methylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazole-4-carboxamide
SMILESCNc1ncn(CC(=O)Nc2cccc(-c3cnc(C)c(F)c3)n2)c1C(=O)NCc1nc(C)no1
InChIInChI=1S/C22H22FN9O3/c1-12-15(23)7-14(8-25-12)16-5-4-6-17(29-16)30-18(33)10-32-11-27-21(24-3)20(32)22(34)26-9-19-28-13(2)31-35-19/h4-8,11,24H,9-10H2,1-3H3,(H,26,34)(H,29,30,33)
InChIKeyZAMIVSXLOLKJOY-UHFFFAOYSA-N
MW479.48 g/mol
LogP2.09
Rot. Bonds8

About 3-[2-[[6-(5-fluoro-6-methyl-3-pyridinyl)-2-pyridinyl]amino]-2-oxoethyl]-5-(methylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazole-4-carboxamide

3-[2-[[6-(5-fluoro-6-methyl-3-pyridinyl)-2-pyridinyl]amino]-2-oxoethyl]-5-(methylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazole-4-carboxamide (PubChem CID 146490012) has the molecular formula C22H22FN9O3 and a molecular weight of 479.48 g/mol. Its IUPAC name is 3-[2-[[6-(5-fluoro-6-methyl-3-pyridinyl)-2-pyridinyl]amino]-2-oxoethyl]-5-(methylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-[2-[[6-(5-fluoro-6-methyl-3-pyridinyl)-2-pyridinyl]amino]-2-oxoethyl]-5-(methylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazole-4-carboxamide
PubChem CID146490012
Molecular FormulaC22H22FN9O3
Molecular Weight479.48 g/mol
Exact Mass479.18
IUPAC Name3-[2-[[6-(5-fluoro-6-methyl-3-pyridinyl)-2-pyridinyl]amino]-2-oxoethyl]-5-(methylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazole-4-carboxamide
SMILESCNc1ncn(CC(=O)Nc2cccc(-c3cnc(C)c(F)c3)n2)c1C(=O)NCc1nc(C)no1
InChIInChI=1S/C22H22FN9O3/c1-12-15(23)7-14(8-25-12)16-5-4-6-17(29-16)30-18(33)10-32-11-27-21(24-3)20(32)22(34)26-9-19-28-13(2)31-35-19/h4-8,11,24H,9-10H2,1-3H3,(H,26,34)(H,29,30,33)
InChIKeyZAMIVSXLOLKJOY-UHFFFAOYSA-N
XLogP2.09
TPSA152.75 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.48
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 3-[2-[[6-(5-fluoro-6-methyl-3-pyridinyl)-2-pyridinyl]amino]-2-oxoethyl]-5-(methylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazole-4-carboxamide with MolForge

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Related Compounds

3-[2-[[6-[4-(2-fluoropropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-2-oxoethyl]-5-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazole-4-carboxamide
CID 146489943
N-[6-(5-fluoro-6-methyl-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide
CID 130449549
2-fluoro-6-hydroxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 104917845
2,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide
CID 146086539
2-bromo-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 54903528
3-amino-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 61139818
N-(2,6-difluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide
CID 61015248
3-iodo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 61400580
(2S)-2-[2-hydroxy-3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxo-2H-purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide
CID 130467862
4-(methylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 62176835
6-(methylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazine-2-carboxamide
CID 114035852
3-(N'-hydroxycarbamimidoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 76927062

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[6-(5-fluoro-6-methyl-3-pyridinyl)-2-pyridinyl]amino]-2-oxoethyl]-5-(methylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazole-4-carboxamide?
The IUPAC name of 3-[2-[[6-(5-fluoro-6-methyl-3-pyridinyl)-2-pyridinyl]amino]-2-oxoethyl]-5-(methylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazole-4-carboxamide (CID 146490012) is 3-[2-[[6-(5-fluoro-6-methyl-3-pyridinyl)-2-pyridinyl]amino]-2-oxoethyl]-5-(methylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-[2-[[6-(5-fluoro-6-methyl-3-pyridinyl)-2-pyridinyl]amino]-2-oxoethyl]-5-(methylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazole-4-carboxamide?
The canonical SMILES for 3-[2-[[6-(5-fluoro-6-methyl-3-pyridinyl)-2-pyridinyl]amino]-2-oxoethyl]-5-(methylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazole-4-carboxamide is CNc1ncn(CC(=O)Nc2cccc(-c3cnc(C)c(F)c3)n2)c1C(=O)NCc1nc(C)no1.
What is the InChIKey of 3-[2-[[6-(5-fluoro-6-methyl-3-pyridinyl)-2-pyridinyl]amino]-2-oxoethyl]-5-(methylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazole-4-carboxamide?
The InChIKey is ZAMIVSXLOLKJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN9O3/c1-12-15(23)7-14(8-25-12)16-5-4-6-17(29-16)30-18(33)10-32-11-27-21(24-3)20(32)22(34)26-9-19-28-13(2)31-35-19/h4-8,11,24H,9-10H2,1-3H3,(H,26,34)(H,29,30,33).
What are the key properties of 3-[2-[[6-(5-fluoro-6-methyl-3-pyridinyl)-2-pyridinyl]amino]-2-oxoethyl]-5-(methylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazole-4-carboxamide?
3-[2-[[6-(5-fluoro-6-methyl-3-pyridinyl)-2-pyridinyl]amino]-2-oxoethyl]-5-(methylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazole-4-carboxamide has a molecular weight of 479.48 g/mol, XLogP of 2.09, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[6-(5-fluoro-6-methyl-3-pyridinyl)-2-pyridinyl]amino]-2-oxoethyl]-5-(methylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 146490012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).