3-[[2-(2,2-difluorocyclopropyl)acetyl]amino]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methylbenzamide

C22H25F2N3O3 — CID 172667802

IUPAC3-[[2-(2,2-difluorocyclopropyl)acetyl]amino]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methylbenzamide
SMILESCOc1c(C)cnc(CNC(=O)c2ccc(C)c(NC(=O)CC3CC3(F)F)c2)c1C
InChIInChI=1S/C22H25F2N3O3/c1-12-5-6-15(7-17(12)27-19(28)8-16-9-22(16,23)24)21(29)26-11-18-14(3)20(30-4)13(2)10-25-18/h5-7,10,16H,8-9,11H2,1-4H3,(H,26,29)(H,27,28)
InChIKeyHDNAENLQHBCPAV-UHFFFAOYSA-N
MW417.46 g/mol
LogP3.93
Rot. Bonds7

About 3-[[2-(2,2-difluorocyclopropyl)acetyl]amino]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methylbenzamide

3-[[2-(2,2-difluorocyclopropyl)acetyl]amino]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methylbenzamide (PubChem CID 172667802) has the molecular formula C22H25F2N3O3 and a molecular weight of 417.46 g/mol. Its IUPAC name is 3-[[2-(2,2-difluorocyclopropyl)acetyl]amino]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(2,2-difluorocyclopropyl)acetyl]amino]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methylbenzamide
PubChem CID172667802
Molecular FormulaC22H25F2N3O3
Molecular Weight417.46 g/mol
Exact Mass417.19
IUPAC Name3-[[2-(2,2-difluorocyclopropyl)acetyl]amino]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methylbenzamide
SMILESCOc1c(C)cnc(CNC(=O)c2ccc(C)c(NC(=O)CC3CC3(F)F)c2)c1C
InChIInChI=1S/C22H25F2N3O3/c1-12-5-6-15(7-17(12)27-19(28)8-16-9-22(16,23)24)21(29)26-11-18-14(3)20(30-4)13(2)10-25-18/h5-7,10,16H,8-9,11H2,1-4H3,(H,26,29)(H,27,28)
InChIKeyHDNAENLQHBCPAV-UHFFFAOYSA-N
XLogP3.93
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(2,2-difluorocyclopropyl)acetyl]amino]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methylbenzamide with MolForge

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Related Compounds

N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 49353764
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide
CID 49354766
2-chloro-4-fluoro-N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]benzamide
CID 49353575
tert-butyl N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]carbamate
CID 49354339
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(2-methoxyethoxy)pyridine-3-carboxamide
CID 47087995
1-(4-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 62620937
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-N,N-dimethylacetamide
CID 43310961
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethyl-4-methylbenzamide
CID 60867288
N'-cyclopropyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N'-methylethane-1,2-diamine
CID 62977612
2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide
CID 49353824
N-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]phenyl]acetamide
CID 43825822
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 75472739

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,2-difluorocyclopropyl)acetyl]amino]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methylbenzamide?
The IUPAC name of 3-[[2-(2,2-difluorocyclopropyl)acetyl]amino]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methylbenzamide (CID 172667802) is 3-[[2-(2,2-difluorocyclopropyl)acetyl]amino]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methylbenzamide.
What is the SMILES notation for 3-[[2-(2,2-difluorocyclopropyl)acetyl]amino]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methylbenzamide?
The canonical SMILES for 3-[[2-(2,2-difluorocyclopropyl)acetyl]amino]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methylbenzamide is COc1c(C)cnc(CNC(=O)c2ccc(C)c(NC(=O)CC3CC3(F)F)c2)c1C.
What is the InChIKey of 3-[[2-(2,2-difluorocyclopropyl)acetyl]amino]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methylbenzamide?
The InChIKey is HDNAENLQHBCPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O3/c1-12-5-6-15(7-17(12)27-19(28)8-16-9-22(16,23)24)21(29)26-11-18-14(3)20(30-4)13(2)10-25-18/h5-7,10,16H,8-9,11H2,1-4H3,(H,26,29)(H,27,28).
What are the key properties of 3-[[2-(2,2-difluorocyclopropyl)acetyl]amino]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methylbenzamide?
3-[[2-(2,2-difluorocyclopropyl)acetyl]amino]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methylbenzamide has a molecular weight of 417.46 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,2-difluorocyclopropyl)acetyl]amino]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methylbenzamide is sourced from PubChem (CID 172667802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).