N-(2-methoxy-6-methylphenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide

C25H29N5O2 — CID 110109838

IUPACN-(2-methoxy-6-methylphenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
SMILESCOc1cccc(C)c1NC(=O)CN1CCC(c2cccc(Nc3ccccn3)n2)CC1
InChIInChI=1S/C25H29N5O2/c1-18-7-5-9-21(32-2)25(18)29-24(31)17-30-15-12-19(13-16-30)20-8-6-11-23(27-20)28-22-10-3-4-14-26-22/h3-11,14,19H,12-13,15-17H2,1-2H3,(H,29,31)(H,26,27,28)
InChIKeyIMLBJSPFXJEMLB-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.36
Rot. Bonds7

About N-(2-methoxy-6-methylphenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide

N-(2-methoxy-6-methylphenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide (PubChem CID 110109838) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-(2-methoxy-6-methylphenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-6-methylphenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
PubChem CID110109838
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC NameN-(2-methoxy-6-methylphenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
SMILESCOc1cccc(C)c1NC(=O)CN1CCC(c2cccc(Nc3ccccn3)n2)CC1
InChIInChI=1S/C25H29N5O2/c1-18-7-5-9-21(32-2)25(18)29-24(31)17-30-15-12-19(13-16-30)20-8-6-11-23(27-20)28-22-10-3-4-14-26-22/h3-11,14,19H,12-13,15-17H2,1-2H3,(H,29,31)(H,26,27,28)
InChIKeyIMLBJSPFXJEMLB-UHFFFAOYSA-N
XLogP4.36
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110095808
N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110093855
N-(1,5-dimethylpyrazol-4-yl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110093998
N-(1-phenylethyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110111181
2-(2,6-dimethylanilino)-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110109850
2-[4-(2-methoxyanilino)piperidin-1-yl]-N-pyridin-2-ylacetamide
CID 10735928
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 124966125
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2,6-dimethoxyphenyl)acetamide
CID 1429727
N-(2-fluorophenyl)-2-[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]acetamide
CID 110095958
N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110093175
N-[(2R)-1-methoxypropan-2-yl]-2-[4-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 124970558
N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide;N,4-dipyridin-2-yl-1,3-thiazol-2-amine;dihydrochloride
CID 72551287

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-6-methylphenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(2-methoxy-6-methylphenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide (CID 110109838) is N-(2-methoxy-6-methylphenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxy-6-methylphenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxy-6-methylphenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide is COc1cccc(C)c1NC(=O)CN1CCC(c2cccc(Nc3ccccn3)n2)CC1.
What is the InChIKey of N-(2-methoxy-6-methylphenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide?
The InChIKey is IMLBJSPFXJEMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-18-7-5-9-21(32-2)25(18)29-24(31)17-30-15-12-19(13-16-30)20-8-6-11-23(27-20)28-22-10-3-4-14-26-22/h3-11,14,19H,12-13,15-17H2,1-2H3,(H,29,31)(H,26,27,28).
What are the key properties of N-(2-methoxy-6-methylphenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide?
N-(2-methoxy-6-methylphenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide has a molecular weight of 431.54 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-6-methylphenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 110109838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).