6-methoxy-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]pyridine-3-carboxamide

C17H23N5O3 — CID 154801391

IUPAC6-methoxy-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NC[C@@H]2OCCN(C)[C@H]2c2cncn2C)cn1
InChIInChI=1S/C17H23N5O3/c1-21-6-7-25-14(16(21)13-9-18-11-22(13)2)10-20-17(23)12-4-5-15(24-3)19-8-12/h4-5,8-9,11,14,16H,6-7,10H2,1-3H3,(H,20,23)/t14-,16-/m0/s1
InChIKeyXLPFJTABVXGGDI-HOCLYGCPSA-N
MW345.40 g/mol
LogP0.63
Rot. Bonds5

About 6-methoxy-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]pyridine-3-carboxamide

6-methoxy-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]pyridine-3-carboxamide (PubChem CID 154801391) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 6-methoxy-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]pyridine-3-carboxamide
PubChem CID154801391
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name6-methoxy-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NC[C@@H]2OCCN(C)[C@H]2c2cncn2C)cn1
InChIInChI=1S/C17H23N5O3/c1-21-6-7-25-14(16(21)13-9-18-11-22(13)2)10-20-17(23)12-4-5-15(24-3)19-8-12/h4-5,8-9,11,14,16H,6-7,10H2,1-3H3,(H,20,23)/t14-,16-/m0/s1
InChIKeyXLPFJTABVXGGDI-HOCLYGCPSA-N
XLogP0.63
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]propan-2-amine
CID 66118550
2-methyl-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]pyrazole-3-sulfonamide
CID 154761061
6-methoxy-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 47126571
N-[[3-(6-methoxy-3-pyridinyl)-4-methylmorpholin-2-yl]methyl]propan-1-amine
CID 114938569
6-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide
CID 49093596
7-fluoro-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]isoquinolin-1-amine
CID 154761070
6-methoxy-N-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 125169256
6-methoxy-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102914743
4-fluoro-N-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-3-(methylsulfanylmethyl)benzamide
CID 136584058
6-methoxy-N-[(2S)-2-piperidin-1-ylpropyl]pyridine-3-carboxamide
CID 94633091
N-[[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]methyl]-6-methoxypyridine-3-carboxamide
CID 153288837
1,5-dimethyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]pyrrole-2-carboxamide
CID 128985047

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-methoxy-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]pyridine-3-carboxamide (CID 154801391) is 6-methoxy-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]pyridine-3-carboxamide is COc1ccc(C(=O)NC[C@@H]2OCCN(C)[C@H]2c2cncn2C)cn1.
What is the InChIKey of 6-methoxy-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]pyridine-3-carboxamide?
The InChIKey is XLPFJTABVXGGDI-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-21-6-7-25-14(16(21)13-9-18-11-22(13)2)10-20-17(23)12-4-5-15(24-3)19-8-12/h4-5,8-9,11,14,16H,6-7,10H2,1-3H3,(H,20,23)/t14-,16-/m0/s1.
What are the key properties of 6-methoxy-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]pyridine-3-carboxamide?
6-methoxy-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]pyridine-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 154801391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).