6-methoxy-N-[5-[[(3R,4R)-4-methoxyoxan-3-yl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide

C21H25N3O5 — CID 172668266

IUPAC6-methoxy-N-[5-[[(3R,4R)-4-methoxyoxan-3-yl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2cc(C(=O)N[C@@H]3COCC[C@H]3OC)ccc2C)cn1
InChIInChI=1S/C21H25N3O5/c1-13-4-5-14(20(25)24-17-12-29-9-8-18(17)27-2)10-16(13)23-21(26)15-6-7-19(28-3)22-11-15/h4-7,10-11,17-18H,8-9,12H2,1-3H3,(H,23,26)(H,24,25)/t17-,18-/m1/s1
InChIKeyGXVCJPGABWWGDX-QZTJIDSGSA-N
MW399.45 g/mol
LogP2.18
Rot. Bonds6

About 6-methoxy-N-[5-[[(3R,4R)-4-methoxyoxan-3-yl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide

6-methoxy-N-[5-[[(3R,4R)-4-methoxyoxan-3-yl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide (PubChem CID 172668266) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is 6-methoxy-N-[5-[[(3R,4R)-4-methoxyoxan-3-yl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[5-[[(3R,4R)-4-methoxyoxan-3-yl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide
PubChem CID172668266
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC Name6-methoxy-N-[5-[[(3R,4R)-4-methoxyoxan-3-yl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2cc(C(=O)N[C@@H]3COCC[C@H]3OC)ccc2C)cn1
InChIInChI=1S/C21H25N3O5/c1-13-4-5-14(20(25)24-17-12-29-9-8-18(17)27-2)10-16(13)23-21(26)15-6-7-19(28-3)22-11-15/h4-7,10-11,17-18H,8-9,12H2,1-3H3,(H,23,26)(H,24,25)/t17-,18-/m1/s1
InChIKeyGXVCJPGABWWGDX-QZTJIDSGSA-N
XLogP2.18
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-methoxy-N-[5-[[(3R,4R)-4-methoxyoxan-3-yl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide with MolForge

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Related Compounds

6-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-3-carboxamide
CID 91793620
6-cyano-N-[(3R,4R)-4-methoxyoxan-3-yl]pyridine-3-carboxamide
CID 91831669
N-[4-(cyclopropylcarbamoyl)phenyl]-6-methoxypyridine-3-carboxamide
CID 51300111
N-(2,4-dimethoxyphenyl)-6-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 100730426
N-(4-methoxyoxan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
CID 156608505
4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]benzamide
CID 163319270
(6-methoxy-3-pyridinyl)-(oxolan-3-yl)methanone
CID 130594889
4-chloro-3-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid
CID 43358856
6-methoxy-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 42040009
N-[2-(hydroxymethyl)cyclopentyl]-6-methoxypyridine-3-carboxamide
CID 113259274
N-[(3R,4R)-4-methoxyoxan-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 136587643
6-amino-N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]pyridine-3-carboxamide
CID 91769238

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[5-[[(3R,4R)-4-methoxyoxan-3-yl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide?
The IUPAC name of 6-methoxy-N-[5-[[(3R,4R)-4-methoxyoxan-3-yl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide (CID 172668266) is 6-methoxy-N-[5-[[(3R,4R)-4-methoxyoxan-3-yl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[5-[[(3R,4R)-4-methoxyoxan-3-yl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[5-[[(3R,4R)-4-methoxyoxan-3-yl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide is COc1ccc(C(=O)Nc2cc(C(=O)N[C@@H]3COCC[C@H]3OC)ccc2C)cn1.
What is the InChIKey of 6-methoxy-N-[5-[[(3R,4R)-4-methoxyoxan-3-yl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide?
The InChIKey is GXVCJPGABWWGDX-QZTJIDSGSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-13-4-5-14(20(25)24-17-12-29-9-8-18(17)27-2)10-16(13)23-21(26)15-6-7-19(28-3)22-11-15/h4-7,10-11,17-18H,8-9,12H2,1-3H3,(H,23,26)(H,24,25)/t17-,18-/m1/s1.
What are the key properties of 6-methoxy-N-[5-[[(3R,4R)-4-methoxyoxan-3-yl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide?
6-methoxy-N-[5-[[(3R,4R)-4-methoxyoxan-3-yl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[5-[[(3R,4R)-4-methoxyoxan-3-yl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 172668266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).