3,4,5-trichloro-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide

C15H13Cl3N4O2 — CID 43038049

IUPAC3,4,5-trichloro-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)nc1)c1ncc(Cl)c(Cl)c1Cl
InChIInChI=1S/C15H13Cl3N4O2/c16-10-8-20-14(13(18)12(10)17)15(23)21-9-1-2-11(19-7-9)22-3-5-24-6-4-22/h1-2,7-8H,3-6H2,(H,21,23)
InChIKeyOTJBGUQHHYFECR-UHFFFAOYSA-N
MW387.65 g/mol
LogP3.53
Rot. Bonds3

About 3,4,5-trichloro-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide

3,4,5-trichloro-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide (PubChem CID 43038049) has the molecular formula C15H13Cl3N4O2 and a molecular weight of 387.65 g/mol. Its IUPAC name is 3,4,5-trichloro-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,4,5-trichloro-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide
PubChem CID43038049
Molecular FormulaC15H13Cl3N4O2
Molecular Weight387.65 g/mol
Exact Mass386.01
IUPAC Name3,4,5-trichloro-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)nc1)c1ncc(Cl)c(Cl)c1Cl
InChIInChI=1S/C15H13Cl3N4O2/c16-10-8-20-14(13(18)12(10)17)15(23)21-9-1-2-11(19-7-9)22-3-5-24-6-4-22/h1-2,7-8H,3-6H2,(H,21,23)
InChIKeyOTJBGUQHHYFECR-UHFFFAOYSA-N
XLogP3.53
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.65
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-(diethylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 48655504
5-bromo-2-chloro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 34442516
2,2-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 11391397
4-chloro-N-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrole-2-carboxamide
CID 18145943
2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 17453496
1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47162241
2-(2,6-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 30770460
2,5-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)thiophene-3-carboxamide
CID 18158652
2-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 119946355
N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 43699902
3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 62229953
2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide
CID 84553160

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trichloro-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 3,4,5-trichloro-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide (CID 43038049) is 3,4,5-trichloro-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,4,5-trichloro-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 3,4,5-trichloro-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide is O=C(Nc1ccc(N2CCOCC2)nc1)c1ncc(Cl)c(Cl)c1Cl.
What is the InChIKey of 3,4,5-trichloro-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide?
The InChIKey is OTJBGUQHHYFECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N4O2/c16-10-8-20-14(13(18)12(10)17)15(23)21-9-1-2-11(19-7-9)22-3-5-24-6-4-22/h1-2,7-8H,3-6H2,(H,21,23).
What are the key properties of 3,4,5-trichloro-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide?
3,4,5-trichloro-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide has a molecular weight of 387.65 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trichloro-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 43038049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).