5-[2-[(3R)-1-(3-methoxypropanoyl)piperidin-3-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide

C22H28N4O3 — CID 95813915

IUPAC5-[2-[(3R)-1-(3-methoxypropanoyl)piperidin-3-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)CCOC)C3)c2)cn1
InChIInChI=1S/C22H28N4O3/c1-15-11-18(16-6-7-19(24-13-16)22(28)23-2)12-20(25-15)17-5-4-9-26(14-17)21(27)8-10-29-3/h6-7,11-13,17H,4-5,8-10,14H2,1-3H3,(H,23,28)/t17-/m1/s1
InChIKeyDZDIEARCYXEQNT-QGZVFWFLSA-N
MW396.49 g/mol
LogP2.55
Rot. Bonds6

About 5-[2-[(3R)-1-(3-methoxypropanoyl)piperidin-3-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide

5-[2-[(3R)-1-(3-methoxypropanoyl)piperidin-3-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide (PubChem CID 95813915) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 5-[2-[(3R)-1-(3-methoxypropanoyl)piperidin-3-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-[(3R)-1-(3-methoxypropanoyl)piperidin-3-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide
PubChem CID95813915
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name5-[2-[(3R)-1-(3-methoxypropanoyl)piperidin-3-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)CCOC)C3)c2)cn1
InChIInChI=1S/C22H28N4O3/c1-15-11-18(16-6-7-19(24-13-16)22(28)23-2)12-20(25-15)17-5-4-9-26(14-17)21(27)8-10-29-3/h6-7,11-13,17H,4-5,8-10,14H2,1-3H3,(H,23,28)/t17-/m1/s1
InChIKeyDZDIEARCYXEQNT-QGZVFWFLSA-N
XLogP2.55
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-[(3R)-1-(3-methoxypropanoyl)piperidin-3-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

5-[2-[1-(3-methoxypropanoyl)piperidin-3-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide
CID 110252459
5-[2-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide
CID 92616860
1-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 110252451
[3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 110252448
[(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124965658
1-[(3S)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 95813929
1-[3-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-3-methoxypropan-1-one
CID 110266496
N-methyl-5-[2-methyl-6-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide
CID 124951336
2-(methylamino)-1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]ethanone
CID 73439357
(2-amino-6-methylpyrimidin-4-yl)-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110091898
N-methyl-5-[2-methyl-6-[4-[2-(methylamino)pyridine-4-carbonyl]morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide
CID 110130769
cyclopentyl-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]methanone
CID 124980635

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3R)-1-(3-methoxypropanoyl)piperidin-3-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[2-[(3R)-1-(3-methoxypropanoyl)piperidin-3-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide (CID 95813915) is 5-[2-[(3R)-1-(3-methoxypropanoyl)piperidin-3-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[2-[(3R)-1-(3-methoxypropanoyl)piperidin-3-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[2-[(3R)-1-(3-methoxypropanoyl)piperidin-3-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)CCOC)C3)c2)cn1.
What is the InChIKey of 5-[2-[(3R)-1-(3-methoxypropanoyl)piperidin-3-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide?
The InChIKey is DZDIEARCYXEQNT-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-15-11-18(16-6-7-19(24-13-16)22(28)23-2)12-20(25-15)17-5-4-9-26(14-17)21(27)8-10-29-3/h6-7,11-13,17H,4-5,8-10,14H2,1-3H3,(H,23,28)/t17-/m1/s1.
What are the key properties of 5-[2-[(3R)-1-(3-methoxypropanoyl)piperidin-3-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide?
5-[2-[(3R)-1-(3-methoxypropanoyl)piperidin-3-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3R)-1-(3-methoxypropanoyl)piperidin-3-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 95813915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).