5-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

C17H17Cl2N3O2 — CID 109228896

IUPAC5-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cncc(Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H17Cl2N3O2/c18-14-4-1-5-15(19)16(14)22-12-7-11(8-20-9-12)17(23)21-10-13-3-2-6-24-13/h1,4-5,7-9,13,22H,2-3,6,10H2,(H,21,23)
InChIKeyRKWHJCMNOBSSPW-UHFFFAOYSA-N
MW366.25 g/mol
LogP4.04
Rot. Bonds5

About 5-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

5-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 109228896) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 5-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID109228896
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name5-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cncc(Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H17Cl2N3O2/c18-14-4-1-5-15(19)16(14)22-12-7-11(8-20-9-12)17(23)21-10-13-3-2-6-24-13/h1,4-5,7-9,13,22H,2-3,6,10H2,(H,21,23)
InChIKeyRKWHJCMNOBSSPW-UHFFFAOYSA-N
XLogP4.04
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-chlorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228749
5-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228825
N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 109228869
N-(oxolan-2-ylmethyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109228822
2-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 109167534
5-(3,4-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228908
3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide
CID 109103938
5-(2-tert-butylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228826
N-(oxolan-2-ylmethyl)-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109228849
5-N-(2,5-dichlorophenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104008
5-hydroxy-N-(oxan-2-ylmethyl)pyridine-3-carboxamide
CID 63860323
2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 26256690

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (CID 109228896) is 5-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is O=C(NCC1CCCO1)c1cncc(Nc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 5-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is RKWHJCMNOBSSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c18-14-4-1-5-15(19)16(14)22-12-7-11(8-20-9-12)17(23)21-10-13-3-2-6-24-13/h1,4-5,7-9,13,22H,2-3,6,10H2,(H,21,23).
What are the key properties of 5-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
5-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 366.25 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109228896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).