2-[[3-cyano-4-[(1-methylpiperidin-3-yl)amino]-6-(2-phenylmethoxyphenyl)-2-pyridinyl]oxy]acetamide

C27H29N5O3 — CID 20585181

IUPAC2-[[3-cyano-4-[(1-methylpiperidin-3-yl)amino]-6-(2-phenylmethoxyphenyl)-2-pyridinyl]oxy]acetamide
SMILESCN1CCCC(Nc2cc(-c3ccccc3OCc3ccccc3)nc(OCC(N)=O)c2C#N)C1
InChIInChI=1S/C27H29N5O3/c1-32-13-7-10-20(16-32)30-24-14-23(31-27(22(24)15-28)35-18-26(29)33)21-11-5-6-12-25(21)34-17-19-8-3-2-4-9-19/h2-6,8-9,11-12,14,20H,7,10,13,16-18H2,1H3,(H2,29,33)(H,30,31)
InChIKeyAWGQCPDGTSEYCE-UHFFFAOYSA-N
MW471.56 g/mol
LogP3.57
Rot. Bonds9

About 2-[[3-cyano-4-[(1-methylpiperidin-3-yl)amino]-6-(2-phenylmethoxyphenyl)-2-pyridinyl]oxy]acetamide

2-[[3-cyano-4-[(1-methylpiperidin-3-yl)amino]-6-(2-phenylmethoxyphenyl)-2-pyridinyl]oxy]acetamide (PubChem CID 20585181) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 2-[[3-cyano-4-[(1-methylpiperidin-3-yl)amino]-6-(2-phenylmethoxyphenyl)-2-pyridinyl]oxy]acetamide.

Molecular Properties

Compound Name2-[[3-cyano-4-[(1-methylpiperidin-3-yl)amino]-6-(2-phenylmethoxyphenyl)-2-pyridinyl]oxy]acetamide
PubChem CID20585181
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC Name2-[[3-cyano-4-[(1-methylpiperidin-3-yl)amino]-6-(2-phenylmethoxyphenyl)-2-pyridinyl]oxy]acetamide
SMILESCN1CCCC(Nc2cc(-c3ccccc3OCc3ccccc3)nc(OCC(N)=O)c2C#N)C1
InChIInChI=1S/C27H29N5O3/c1-32-13-7-10-20(16-32)30-24-14-23(31-27(22(24)15-28)35-18-26(29)33)21-11-5-6-12-25(21)34-17-19-8-3-2-4-9-19/h2-6,8-9,11-12,14,20H,7,10,13,16-18H2,1H3,(H2,29,33)(H,30,31)
InChIKeyAWGQCPDGTSEYCE-UHFFFAOYSA-N
XLogP3.57
TPSA113.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[3-cyano-4-[(1-methylpiperidin-3-yl)amino]-6-(2-phenylmethoxyphenyl)-2-pyridinyl]oxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-[2-amino-3-cyano-6-(2-phenylmethoxyphenyl)-4-pyridinyl]piperidine-1-carboxylate
CID 22258881
2-[[3-cyano-4-(4-methylpiperidin-1-yl)-6-[2-(2-phenylethyl)phenyl]-2-pyridinyl]oxy]acetamide
CID 71146304
(2R)-N-[(3S)-1-methylpiperidin-3-yl]-2-phenylmethoxypropanamide
CID 94194356
1-(1-methylpiperidin-3-yl)-4-phenylmethoxypyrazole-5-carboxylic acid
CID 117232065
N-[3-cyano-4-methylsulfinyl-6-(2-phenylmethoxyphenyl)-2-pyridinyl]furan-2-carboxamide
CID 68955144
1-methyl-N-phenylmethoxypiperidin-3-amine
CID 82710116
3-methyl-N-[(3R)-1-methylpiperidin-3-yl]-4-[2-phenylmethoxy-4-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazin-7-amine
CID 177370169
ethyl 1-methyl-3-(2-phenylmethoxyphenyl)pyrazole-5-carboxylate
CID 169144581
2-[3-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide
CID 62658835
1-methyl-1-(1-methylpyrrolidin-3-yl)-3-(2-phenylmethoxyphenyl)urea
CID 72928602
N-(2-amino-2-oxoethyl)-3-[6-(1-methylpiperidin-3-yl)-2-pyridinyl]propanamide
CID 110258164
4-(2-phenylmethoxyphenyl)furan-2-carboxylic acid
CID 23062503

Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-4-[(1-methylpiperidin-3-yl)amino]-6-(2-phenylmethoxyphenyl)-2-pyridinyl]oxy]acetamide?
The IUPAC name of 2-[[3-cyano-4-[(1-methylpiperidin-3-yl)amino]-6-(2-phenylmethoxyphenyl)-2-pyridinyl]oxy]acetamide (CID 20585181) is 2-[[3-cyano-4-[(1-methylpiperidin-3-yl)amino]-6-(2-phenylmethoxyphenyl)-2-pyridinyl]oxy]acetamide.
What is the SMILES notation for 2-[[3-cyano-4-[(1-methylpiperidin-3-yl)amino]-6-(2-phenylmethoxyphenyl)-2-pyridinyl]oxy]acetamide?
The canonical SMILES for 2-[[3-cyano-4-[(1-methylpiperidin-3-yl)amino]-6-(2-phenylmethoxyphenyl)-2-pyridinyl]oxy]acetamide is CN1CCCC(Nc2cc(-c3ccccc3OCc3ccccc3)nc(OCC(N)=O)c2C#N)C1.
What is the InChIKey of 2-[[3-cyano-4-[(1-methylpiperidin-3-yl)amino]-6-(2-phenylmethoxyphenyl)-2-pyridinyl]oxy]acetamide?
The InChIKey is AWGQCPDGTSEYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-32-13-7-10-20(16-32)30-24-14-23(31-27(22(24)15-28)35-18-26(29)33)21-11-5-6-12-25(21)34-17-19-8-3-2-4-9-19/h2-6,8-9,11-12,14,20H,7,10,13,16-18H2,1H3,(H2,29,33)(H,30,31).
What are the key properties of 2-[[3-cyano-4-[(1-methylpiperidin-3-yl)amino]-6-(2-phenylmethoxyphenyl)-2-pyridinyl]oxy]acetamide?
2-[[3-cyano-4-[(1-methylpiperidin-3-yl)amino]-6-(2-phenylmethoxyphenyl)-2-pyridinyl]oxy]acetamide has a molecular weight of 471.56 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyano-4-[(1-methylpiperidin-3-yl)amino]-6-(2-phenylmethoxyphenyl)-2-pyridinyl]oxy]acetamide is sourced from PubChem (CID 20585181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).