N-(2-methoxyethyl)-4-[[(1R)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide

C19H24N4O3 — CID 125161102

IUPACN-(2-methoxyethyl)-4-[[(1R)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide
SMILESCC[C@@H](NC(=O)Nc1ccc(C(=O)NCCOC)cc1)c1cccnc1
InChIInChI=1S/C19H24N4O3/c1-3-17(15-5-4-10-20-13-15)23-19(25)22-16-8-6-14(7-9-16)18(24)21-11-12-26-2/h4-10,13,17H,3,11-12H2,1-2H3,(H,21,24)(H2,22,23,25)/t17-/m1/s1
InChIKeyLCHJSFCXIHYJTC-QGZVFWFLSA-N
MW356.43 g/mol
LogP2.73
Rot. Bonds8

About N-(2-methoxyethyl)-4-[[(1R)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide

N-(2-methoxyethyl)-4-[[(1R)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide (PubChem CID 125161102) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[[(1R)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[[(1R)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide
PubChem CID125161102
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-(2-methoxyethyl)-4-[[(1R)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide
SMILESCC[C@@H](NC(=O)Nc1ccc(C(=O)NCCOC)cc1)c1cccnc1
InChIInChI=1S/C19H24N4O3/c1-3-17(15-5-4-10-20-13-15)23-19(25)22-16-8-6-14(7-9-16)18(24)21-11-12-26-2/h4-10,13,17H,3,11-12H2,1-2H3,(H,21,24)(H2,22,23,25)/t17-/m1/s1
InChIKeyLCHJSFCXIHYJTC-QGZVFWFLSA-N
XLogP2.73
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-4-[[2-(1-phenylpropylamino)acetyl]amino]benzamide
CID 54845673
N-cyclopropyl-4-methoxy-3-[[(1S)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide
CID 125156563
1-(3-methoxy-4-methylphenyl)-3-[(1R)-3-methyl-1-pyridin-3-ylbutyl]urea
CID 125177918
3-fluoro-4-methyl-N-(1-pyridin-3-ylpropyl)benzamide
CID 91796729
2-(pyridine-3-carbonylamino)ethyl 2-phenylbutanoate
CID 69106862
N-[2-(diethylamino)ethyl]-4-(pyridin-3-ylcarbamoylamino)benzamide
CID 142899815
1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea
CID 6469359
4-(2-methoxyethylcarbamoylamino)-N-phenylbenzamide
CID 52793053
4-(butanoylamino)-N-(2-methoxyethyl)benzamide
CID 4265355
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 95130176
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 95130177
N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 110697049

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[[(1R)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-4-[[(1R)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide (CID 125161102) is N-(2-methoxyethyl)-4-[[(1R)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[[(1R)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[[(1R)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide is CC[C@@H](NC(=O)Nc1ccc(C(=O)NCCOC)cc1)c1cccnc1.
What is the InChIKey of N-(2-methoxyethyl)-4-[[(1R)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide?
The InChIKey is LCHJSFCXIHYJTC-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-3-17(15-5-4-10-20-13-15)23-19(25)22-16-8-6-14(7-9-16)18(24)21-11-12-26-2/h4-10,13,17H,3,11-12H2,1-2H3,(H,21,24)(H2,22,23,25)/t17-/m1/s1.
What are the key properties of N-(2-methoxyethyl)-4-[[(1R)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide?
N-(2-methoxyethyl)-4-[[(1R)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide has a molecular weight of 356.43 g/mol, XLogP of 2.73, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[[(1R)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide is sourced from PubChem (CID 125161102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).