1-[5-[[2-(2,5-dichlorophenoxy)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide

C19H20Cl2N4O3 — CID 55700759

IUPAC1-[5-[[2-(2,5-dichlorophenoxy)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(NC(=O)COc3cc(Cl)ccc3Cl)cn2)C1
InChIInChI=1S/C19H20Cl2N4O3/c20-13-3-5-15(21)16(8-13)28-11-18(26)24-14-4-6-17(23-9-14)25-7-1-2-12(10-25)19(22)27/h3-6,8-9,12H,1-2,7,10-11H2,(H2,22,27)(H,24,26)
InChIKeyKXNJCRLZYDTILY-UHFFFAOYSA-N
MW423.30 g/mol
LogP3.11
Rot. Bonds6

About 1-[5-[[2-(2,5-dichlorophenoxy)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide

1-[5-[[2-(2,5-dichlorophenoxy)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55700759) has the molecular formula C19H20Cl2N4O3 and a molecular weight of 423.30 g/mol. Its IUPAC name is 1-[5-[[2-(2,5-dichlorophenoxy)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[[2-(2,5-dichlorophenoxy)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID55700759
Molecular FormulaC19H20Cl2N4O3
Molecular Weight423.30 g/mol
Exact Mass422.09
IUPAC Name1-[5-[[2-(2,5-dichlorophenoxy)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(NC(=O)COc3cc(Cl)ccc3Cl)cn2)C1
InChIInChI=1S/C19H20Cl2N4O3/c20-13-3-5-15(21)16(8-13)28-11-18(26)24-14-4-6-17(23-9-14)25-7-1-2-12(10-25)19(22)27/h3-6,8-9,12H,1-2,7,10-11H2,(H2,22,27)(H,24,26)
InChIKeyKXNJCRLZYDTILY-UHFFFAOYSA-N
XLogP3.11
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dichlorophenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 34444546
1-[5-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971095
(3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 95312803
1-[5-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55970199
1-[5-[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971342
(3R)-1-[2-(2,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide
CID 8578422
2-(2-chloro-4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 30267448
2-(2,5-dichlorophenoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 37481539
1-[5-(4-naphthalen-1-yloxybutanoylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 55970974
1-[5-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700880
1-[5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 55970200
1-[5-[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55701063

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[2-(2,5-dichlorophenoxy)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-[[2-(2,5-dichlorophenoxy)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide (CID 55700759) is 1-[5-[[2-(2,5-dichlorophenoxy)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-[[2-(2,5-dichlorophenoxy)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-[[2-(2,5-dichlorophenoxy)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide is NC(=O)C1CCCN(c2ccc(NC(=O)COc3cc(Cl)ccc3Cl)cn2)C1.
What is the InChIKey of 1-[5-[[2-(2,5-dichlorophenoxy)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is KXNJCRLZYDTILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O3/c20-13-3-5-15(21)16(8-13)28-11-18(26)24-14-4-6-17(23-9-14)25-7-1-2-12(10-25)19(22)27/h3-6,8-9,12H,1-2,7,10-11H2,(H2,22,27)(H,24,26).
What are the key properties of 1-[5-[[2-(2,5-dichlorophenoxy)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
1-[5-[[2-(2,5-dichlorophenoxy)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 423.30 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[2-(2,5-dichlorophenoxy)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55700759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).