2-(difluoromethoxy)-4-methoxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide

C19H22F2N4O3 — CID 119045852

IUPAC2-(difluoromethoxy)-4-methoxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)c(OC(F)F)c1
InChIInChI=1S/C19H22F2N4O3/c1-24-7-9-25(10-8-24)13-3-6-17(22-12-13)23-18(26)15-5-4-14(27-2)11-16(15)28-19(20)21/h3-6,11-12,19H,7-10H2,1-2H3,(H,22,23,26)
InChIKeyHRBSYEOVJKFQBF-UHFFFAOYSA-N
MW392.41 g/mol
LogP2.70
Rot. Bonds6

About 2-(difluoromethoxy)-4-methoxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide

2-(difluoromethoxy)-4-methoxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide (PubChem CID 119045852) has the molecular formula C19H22F2N4O3 and a molecular weight of 392.41 g/mol. Its IUPAC name is 2-(difluoromethoxy)-4-methoxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-4-methoxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide
PubChem CID119045852
Molecular FormulaC19H22F2N4O3
Molecular Weight392.41 g/mol
Exact Mass392.17
IUPAC Name2-(difluoromethoxy)-4-methoxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)c(OC(F)F)c1
InChIInChI=1S/C19H22F2N4O3/c1-24-7-9-25(10-8-24)13-3-6-17(22-12-13)23-18(26)15-5-4-14(27-2)11-16(15)28-19(20)21/h3-6,11-12,19H,7-10H2,1-2H3,(H,22,23,26)
InChIKeyHRBSYEOVJKFQBF-UHFFFAOYSA-N
XLogP2.70
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(difluoromethoxy)-4-methoxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide with MolForge

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Related Compounds

4-methoxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-propan-2-yloxybenzamide
CID 119045853
2-(difluoromethoxy)-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 25345280
2-(difluoromethoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 30857280
N-[5-(azepan-1-yl)-2-pyridinyl]-4-methoxybenzamide
CID 39072257
2,6-difluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 86992589
2-ethyl-N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]butanamide
CID 113031151
N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]pyridine-3-carboxamide
CID 113031155
2,2-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]propanamide
CID 47215724
3-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494679
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 60517539
2-(difluoromethoxy)-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 119045783
3-acetamido-4-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 87019386

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-4-methoxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-4-methoxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide (CID 119045852) is 2-(difluoromethoxy)-4-methoxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-4-methoxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-4-methoxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide is COc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)c(OC(F)F)c1.
What is the InChIKey of 2-(difluoromethoxy)-4-methoxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide?
The InChIKey is HRBSYEOVJKFQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O3/c1-24-7-9-25(10-8-24)13-3-6-17(22-12-13)23-18(26)15-5-4-14(27-2)11-16(15)28-19(20)21/h3-6,11-12,19H,7-10H2,1-2H3,(H,22,23,26).
What are the key properties of 2-(difluoromethoxy)-4-methoxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide?
2-(difluoromethoxy)-4-methoxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide has a molecular weight of 392.41 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-4-methoxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 119045852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).