1-N-cyclopropyl-4-N-[(1S)-2,2-dimethoxy-1-pyridin-3-ylethyl]benzene-1,4-dicarboxamide

C20H23N3O4 — CID 99784507

IUPAC1-N-cyclopropyl-4-N-[(1S)-2,2-dimethoxy-1-pyridin-3-ylethyl]benzene-1,4-dicarboxamide
SMILESCOC(OC)[C@@H](NC(=O)c1ccc(C(=O)NC2CC2)cc1)c1cccnc1
InChIInChI=1S/C20H23N3O4/c1-26-20(27-2)17(15-4-3-11-21-12-15)23-19(25)14-7-5-13(6-8-14)18(24)22-16-9-10-16/h3-8,11-12,16-17,20H,9-10H2,1-2H3,(H,22,24)(H,23,25)/t17-/m0/s1
InChIKeyLSLDOSAIGLZYLG-KRWDZBQOSA-N
MW369.42 g/mol
LogP2.06
Rot. Bonds8

About 1-N-cyclopropyl-4-N-[(1S)-2,2-dimethoxy-1-pyridin-3-ylethyl]benzene-1,4-dicarboxamide

1-N-cyclopropyl-4-N-[(1S)-2,2-dimethoxy-1-pyridin-3-ylethyl]benzene-1,4-dicarboxamide (PubChem CID 99784507) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 1-N-cyclopropyl-4-N-[(1S)-2,2-dimethoxy-1-pyridin-3-ylethyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclopropyl-4-N-[(1S)-2,2-dimethoxy-1-pyridin-3-ylethyl]benzene-1,4-dicarboxamide
PubChem CID99784507
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name1-N-cyclopropyl-4-N-[(1S)-2,2-dimethoxy-1-pyridin-3-ylethyl]benzene-1,4-dicarboxamide
SMILESCOC(OC)[C@@H](NC(=O)c1ccc(C(=O)NC2CC2)cc1)c1cccnc1
InChIInChI=1S/C20H23N3O4/c1-26-20(27-2)17(15-4-3-11-21-12-15)23-19(25)14-7-5-13(6-8-14)18(24)22-16-9-10-16/h3-8,11-12,16-17,20H,9-10H2,1-2H3,(H,22,24)(H,23,25)/t17-/m0/s1
InChIKeyLSLDOSAIGLZYLG-KRWDZBQOSA-N
XLogP2.06
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-N-cyclopropyl-4-N-[(1S)-2,2-dimethoxy-1-pyridin-3-ylethyl]benzene-1,4-dicarboxamide with MolForge

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Related Compounds

N-cyclopropyl-4-methoxy-3-[[(1S)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide
CID 125156563
methyl 2-(cyclopropylamino)-2-pyridin-3-ylacetate
CID 60795276
2-chloro-N-cyclopropyl-2-pyridin-3-ylacetamide
CID 62225149
3-(cyclopropylsulfamoyl)-4-methoxy-N-(1-pyridin-3-ylethyl)benzamide
CID 18163128
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 175209394
N-(4-ethylcyclohexyl)pyridine-3-carboxamide
CID 25237064
3-amino-N-cyclopropyl-3-pyridin-3-ylpropanamide
CID 82077122
4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide
CID 20896997
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,2-dimethoxy-1-pyridin-3-ylethyl)acetamide
CID 86794050
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1R)-2,2-dimethoxy-1-pyridin-3-ylethyl]acetamide
CID 99784502
N-(4-aminocyclohexyl)-2-pyridin-3-ylpropanamide
CID 119475339

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-4-N-[(1S)-2,2-dimethoxy-1-pyridin-3-ylethyl]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-cyclopropyl-4-N-[(1S)-2,2-dimethoxy-1-pyridin-3-ylethyl]benzene-1,4-dicarboxamide (CID 99784507) is 1-N-cyclopropyl-4-N-[(1S)-2,2-dimethoxy-1-pyridin-3-ylethyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-cyclopropyl-4-N-[(1S)-2,2-dimethoxy-1-pyridin-3-ylethyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-cyclopropyl-4-N-[(1S)-2,2-dimethoxy-1-pyridin-3-ylethyl]benzene-1,4-dicarboxamide is COC(OC)[C@@H](NC(=O)c1ccc(C(=O)NC2CC2)cc1)c1cccnc1.
What is the InChIKey of 1-N-cyclopropyl-4-N-[(1S)-2,2-dimethoxy-1-pyridin-3-ylethyl]benzene-1,4-dicarboxamide?
The InChIKey is LSLDOSAIGLZYLG-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-26-20(27-2)17(15-4-3-11-21-12-15)23-19(25)14-7-5-13(6-8-14)18(24)22-16-9-10-16/h3-8,11-12,16-17,20H,9-10H2,1-2H3,(H,22,24)(H,23,25)/t17-/m0/s1.
What are the key properties of 1-N-cyclopropyl-4-N-[(1S)-2,2-dimethoxy-1-pyridin-3-ylethyl]benzene-1,4-dicarboxamide?
1-N-cyclopropyl-4-N-[(1S)-2,2-dimethoxy-1-pyridin-3-ylethyl]benzene-1,4-dicarboxamide has a molecular weight of 369.42 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-4-N-[(1S)-2,2-dimethoxy-1-pyridin-3-ylethyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 99784507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).