5-(1,3-benzodioxol-5-yl)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide

C21H18N2O3 — CID 58833146

IUPAC5-(1,3-benzodioxol-5-yl)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cncc(-c2ccc3c(c2)OCO3)c1)c1ccccc1
InChIInChI=1S/C21H18N2O3/c1-14(15-5-3-2-4-6-15)23-21(24)18-9-17(11-22-12-18)16-7-8-19-20(10-16)26-13-25-19/h2-12,14H,13H2,1H3,(H,23,24)/t14-/m1/s1
InChIKeyGXJGQIKQBXHSRU-CQSZACIVSA-N
MW346.39 g/mol
LogP3.97
Rot. Bonds4

About 5-(1,3-benzodioxol-5-yl)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide

5-(1,3-benzodioxol-5-yl)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide (PubChem CID 58833146) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
PubChem CID58833146
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name5-(1,3-benzodioxol-5-yl)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cncc(-c2ccc3c(c2)OCO3)c1)c1ccccc1
InChIInChI=1S/C21H18N2O3/c1-14(15-5-3-2-4-6-15)23-21(24)18-9-17(11-22-12-18)16-7-8-19-20(10-16)26-13-25-19/h2-12,14H,13H2,1H3,(H,23,24)/t14-/m1/s1
InChIKeyGXJGQIKQBXHSRU-CQSZACIVSA-N
XLogP3.97
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-phenylbenzamide
CID 56725272
5-(3-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
CID 58833104
3-[5-(1,3-benzodioxol-5-yl)-3-pyridinyl]butanoic acid
CID 82543122
N-[(1S)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7534852
5-(1,3-benzodioxol-5-yl)-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 58833072
2-[[5-(1,3-benzodioxol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
CID 90220993
5-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 95053221
5-(1,3-benzodioxol-5-ylamino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280867
N-(1-phenylethyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225708
N-[1-(1-methylpyrazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 45147221
3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N-(1-phenylethyl)benzamide
CID 42858745
N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide
CID 95053218

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide (CID 58833146) is 5-(1,3-benzodioxol-5-yl)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide is C[C@@H](NC(=O)c1cncc(-c2ccc3c(c2)OCO3)c1)c1ccccc1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide?
The InChIKey is GXJGQIKQBXHSRU-CQSZACIVSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-14(15-5-3-2-4-6-15)23-21(24)18-9-17(11-22-12-18)16-7-8-19-20(10-16)26-13-25-19/h2-12,14H,13H2,1H3,(H,23,24)/t14-/m1/s1.
What are the key properties of 5-(1,3-benzodioxol-5-yl)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide?
5-(1,3-benzodioxol-5-yl)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide is sourced from PubChem (CID 58833146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).