6-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2,6-dicarboxamide

C18H18ClN3O4 — CID 102561239

IUPAC6-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2,6-dicarboxamide
SMILESNC(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2OCC2CCCO2)n1
InChIInChI=1S/C18H18ClN3O4/c19-11-6-7-16(26-10-12-3-2-8-25-12)15(9-11)22-18(24)14-5-1-4-13(21-14)17(20)23/h1,4-7,9,12H,2-3,8,10H2,(H2,20,23)(H,22,24)
InChIKeyKWGWQGYMYFBFRX-UHFFFAOYSA-N
MW375.81 g/mol
LogP2.64
Rot. Bonds6

About 6-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2,6-dicarboxamide

6-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2,6-dicarboxamide (PubChem CID 102561239) has the molecular formula C18H18ClN3O4 and a molecular weight of 375.81 g/mol. Its IUPAC name is 6-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2,6-dicarboxamide
PubChem CID102561239
Molecular FormulaC18H18ClN3O4
Molecular Weight375.81 g/mol
Exact Mass375.10
IUPAC Name6-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2,6-dicarboxamide
SMILESNC(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2OCC2CCCO2)n1
InChIInChI=1S/C18H18ClN3O4/c19-11-6-7-16(26-10-12-3-2-8-25-12)15(9-11)22-18(24)14-5-1-4-13(21-14)17(20)23/h1,4-7,9,12H,2-3,8,10H2,(H2,20,23)(H,22,24)
InChIKeyKWGWQGYMYFBFRX-UHFFFAOYSA-N
XLogP2.64
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]quinoxaline-2-carboxamide
CID 94645848
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CID 99823794
N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-6-pyrazol-1-ylpyrazine-2-carboxamide
CID 166285191
4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119300240
N-[5-chloro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-2-nitrobenzamide
CID 40771307
2-[[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976807
1-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-hydroxyethyl)urea
CID 95265922
4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17170162
3-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide
CID 119743204
ethyl 4-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]anilino]-4-oxobutanoate
CID 52505583
3-(2-aminophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 120609593
N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 60576266

Frequently Asked Questions

What is the IUPAC name of 6-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2,6-dicarboxamide (CID 102561239) is 6-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2,6-dicarboxamide is NC(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2OCC2CCCO2)n1.
What is the InChIKey of 6-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2,6-dicarboxamide?
The InChIKey is KWGWQGYMYFBFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4/c19-11-6-7-16(26-10-12-3-2-8-25-12)15(9-11)22-18(24)14-5-1-4-13(21-14)17(20)23/h1,4-7,9,12H,2-3,8,10H2,(H2,20,23)(H,22,24).
What are the key properties of 6-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2,6-dicarboxamide?
6-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2,6-dicarboxamide has a molecular weight of 375.81 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 102561239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).