2-acetamido-N-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide

C26H33N5O4 — CID 3232446

IUPAC2-acetamido-N-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CC(NC(C)=O)C(=O)NC2CCN(c3nc(C)cc(C)c3C#N)CC2)cc1OC
InChIInChI=1S/C26H33N5O4/c1-16-12-17(2)28-25(21(16)15-27)31-10-8-20(9-11-31)30-26(33)22(29-18(3)32)13-19-6-7-23(34-4)24(14-19)35-5/h6-7,12,14,20,22H,8-11,13H2,1-5H3,(H,29,32)(H,30,33)
InChIKeyMMGBSJDWUBWXBO-UHFFFAOYSA-N
MW479.58 g/mol
LogP2.42
Rot. Bonds8

About 2-acetamido-N-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide

2-acetamido-N-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide (PubChem CID 3232446) has the molecular formula C26H33N5O4 and a molecular weight of 479.58 g/mol. Its IUPAC name is 2-acetamido-N-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
PubChem CID3232446
Molecular FormulaC26H33N5O4
Molecular Weight479.58 g/mol
Exact Mass479.25
IUPAC Name2-acetamido-N-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CC(NC(C)=O)C(=O)NC2CCN(c3nc(C)cc(C)c3C#N)CC2)cc1OC
InChIInChI=1S/C26H33N5O4/c1-16-12-17(2)28-25(21(16)15-27)31-10-8-20(9-11-31)30-26(33)22(29-18(3)32)13-19-6-7-23(34-4)24(14-19)35-5/h6-7,12,14,20,22H,8-11,13H2,1-5H3,(H,29,32)(H,30,33)
InChIKeyMMGBSJDWUBWXBO-UHFFFAOYSA-N
XLogP2.42
TPSA116.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of 2-acetamido-N-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide (CID 3232446) is 2-acetamido-N-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 2-acetamido-N-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 2-acetamido-N-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide is COc1ccc(CC(NC(C)=O)C(=O)NC2CCN(c3nc(C)cc(C)c3C#N)CC2)cc1OC.
What is the InChIKey of 2-acetamido-N-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is MMGBSJDWUBWXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O4/c1-16-12-17(2)28-25(21(16)15-27)31-10-8-20(9-11-31)30-26(33)22(29-18(3)32)13-19-6-7-23(34-4)24(14-19)35-5/h6-7,12,14,20,22H,8-11,13H2,1-5H3,(H,29,32)(H,30,33).
What are the key properties of 2-acetamido-N-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide?
2-acetamido-N-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 479.58 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 3232446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).