5-N-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]-2-N-methylpyridine-2,5-dicarboxamide

C16H18N4O3 — CID 99789189

IUPAC5-N-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]-2-N-methylpyridine-2,5-dicarboxamide
SMILESCNC(=O)c1ccc(C(=O)N[C@H](C)c2ccncc2OC)cn1
InChIInChI=1S/C16H18N4O3/c1-10(12-6-7-18-9-14(12)23-3)20-15(21)11-4-5-13(19-8-11)16(22)17-2/h4-10H,1-3H3,(H,17,22)(H,20,21)/t10-/m1/s1
InChIKeyTUFDGHLVRGLVEU-SNVBAGLBSA-N
MW314.35 g/mol
LogP1.34
Rot. Bonds5

About 5-N-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]-2-N-methylpyridine-2,5-dicarboxamide

5-N-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]-2-N-methylpyridine-2,5-dicarboxamide (PubChem CID 99789189) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 5-N-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]-2-N-methylpyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]-2-N-methylpyridine-2,5-dicarboxamide
PubChem CID99789189
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name5-N-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]-2-N-methylpyridine-2,5-dicarboxamide
SMILESCNC(=O)c1ccc(C(=O)N[C@H](C)c2ccncc2OC)cn1
InChIInChI=1S/C16H18N4O3/c1-10(12-6-7-18-9-14(12)23-3)20-15(21)11-4-5-13(19-8-11)16(22)17-2/h4-10H,1-3H3,(H,17,22)(H,20,21)/t10-/m1/s1
InChIKeyTUFDGHLVRGLVEU-SNVBAGLBSA-N
XLogP1.34
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 26618870
6-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 42904939
N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51474665
6-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 134053626
3-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 66462846
1-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-3-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]urea
CID 99856958
5,6-dichloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 7936550
N-[(1S)-1-(2-bromo-4,5-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 100899430
6-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 66463904
3-methoxy-4-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 18160597
1-ethyl-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]-1-(2-methylprop-2-enyl)urea
CID 99823986
N-[1-(3,4-dimethoxyphenyl)ethyl]-6-pyrimidin-5-ylpyridine-3-carboxamide
CID 71835794

Frequently Asked Questions

What is the IUPAC name of 5-N-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]-2-N-methylpyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]-2-N-methylpyridine-2,5-dicarboxamide (CID 99789189) is 5-N-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]-2-N-methylpyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]-2-N-methylpyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]-2-N-methylpyridine-2,5-dicarboxamide is CNC(=O)c1ccc(C(=O)N[C@H](C)c2ccncc2OC)cn1.
What is the InChIKey of 5-N-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]-2-N-methylpyridine-2,5-dicarboxamide?
The InChIKey is TUFDGHLVRGLVEU-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-10(12-6-7-18-9-14(12)23-3)20-15(21)11-4-5-13(19-8-11)16(22)17-2/h4-10H,1-3H3,(H,17,22)(H,20,21)/t10-/m1/s1.
What are the key properties of 5-N-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]-2-N-methylpyridine-2,5-dicarboxamide?
5-N-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]-2-N-methylpyridine-2,5-dicarboxamide has a molecular weight of 314.35 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]-2-N-methylpyridine-2,5-dicarboxamide is sourced from PubChem (CID 99789189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).