4-methoxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-propan-2-yloxybenzamide

C21H28N4O3 — CID 119045853

IUPAC4-methoxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-propan-2-yloxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)c(OC(C)C)c1
InChIInChI=1S/C21H28N4O3/c1-15(2)28-19-13-17(27-4)6-7-18(19)21(26)23-20-8-5-16(14-22-20)25-11-9-24(3)10-12-25/h5-8,13-15H,9-12H2,1-4H3,(H,22,23,26)
InChIKeyKXSANDMERBZINZ-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.88
Rot. Bonds6

About 4-methoxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-propan-2-yloxybenzamide

4-methoxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-propan-2-yloxybenzamide (PubChem CID 119045853) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-methoxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound Name4-methoxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-propan-2-yloxybenzamide
PubChem CID119045853
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name4-methoxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-propan-2-yloxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)c(OC(C)C)c1
InChIInChI=1S/C21H28N4O3/c1-15(2)28-19-13-17(27-4)6-7-18(19)21(26)23-20-8-5-16(14-22-20)25-11-9-24(3)10-12-25/h5-8,13-15H,9-12H2,1-4H3,(H,22,23,26)
InChIKeyKXSANDMERBZINZ-UHFFFAOYSA-N
XLogP2.88
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(difluoromethoxy)-4-methoxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 119045852
N-[5-(azepan-1-yl)-2-pyridinyl]-4-methoxybenzamide
CID 39072257
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-propan-2-yloxybenzamide
CID 50946132
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
2,6-difluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 86992589
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
2,4-dichloro-N-[3-methyl-1-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1-oxobutan-2-yl]benzamide
CID 60517488
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 60517539
3-acetamido-4-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 87019386
4-methoxy-N-(5-piperidin-1-yl-2-pyridinyl)naphthalene-1-carboxamide
CID 112827556

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-propan-2-yloxybenzamide?
The IUPAC name of 4-methoxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-propan-2-yloxybenzamide (CID 119045853) is 4-methoxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for 4-methoxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-propan-2-yloxybenzamide?
The canonical SMILES for 4-methoxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-propan-2-yloxybenzamide is COc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)c(OC(C)C)c1.
What is the InChIKey of 4-methoxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-propan-2-yloxybenzamide?
The InChIKey is KXSANDMERBZINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-15(2)28-19-13-17(27-4)6-7-18(19)21(26)23-20-8-5-16(14-22-20)25-11-9-24(3)10-12-25/h5-8,13-15H,9-12H2,1-4H3,(H,22,23,26).
What are the key properties of 4-methoxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-propan-2-yloxybenzamide?
4-methoxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-propan-2-yloxybenzamide has a molecular weight of 384.48 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 119045853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).