2-N-cyclopropyl-4-N-[5-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyridine-2,4-dicarboxamide

C22H18F2N4O3 — CID 141452929

IUPAC2-N-cyclopropyl-4-N-[5-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyridine-2,4-dicarboxamide
SMILESO=C(Nc1cncc(-c2cccc(OC(F)F)c2)c1)c1ccnc(C(=O)NC2CC2)c1
InChIInChI=1S/C22H18F2N4O3/c23-22(24)31-18-3-1-2-13(9-18)15-8-17(12-25-11-15)28-20(29)14-6-7-26-19(10-14)21(30)27-16-4-5-16/h1-3,6-12,16,22H,4-5H2,(H,27,30)(H,28,29)
InChIKeyJROBNLJBKUCZNF-UHFFFAOYSA-N
MW424.41 g/mol
LogP3.89
Rot. Bonds7

About 2-N-cyclopropyl-4-N-[5-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyridine-2,4-dicarboxamide

2-N-cyclopropyl-4-N-[5-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyridine-2,4-dicarboxamide (PubChem CID 141452929) has the molecular formula C22H18F2N4O3 and a molecular weight of 424.41 g/mol. Its IUPAC name is 2-N-cyclopropyl-4-N-[5-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-cyclopropyl-4-N-[5-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyridine-2,4-dicarboxamide
PubChem CID141452929
Molecular FormulaC22H18F2N4O3
Molecular Weight424.41 g/mol
Exact Mass424.13
IUPAC Name2-N-cyclopropyl-4-N-[5-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyridine-2,4-dicarboxamide
SMILESO=C(Nc1cncc(-c2cccc(OC(F)F)c2)c1)c1ccnc(C(=O)NC2CC2)c1
InChIInChI=1S/C22H18F2N4O3/c23-22(24)31-18-3-1-2-13(9-18)15-8-17(12-25-11-15)28-20(29)14-6-7-26-19(10-14)21(30)27-16-4-5-16/h1-3,6-12,16,22H,4-5H2,(H,27,30)(H,28,29)
InChIKeyJROBNLJBKUCZNF-UHFFFAOYSA-N
XLogP3.89
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[5-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 141452915
2-N-cyclopropyl-4-N-[5-(2-propoxyphenyl)-3-pyridinyl]pyridine-2,4-dicarboxamide
CID 141452889
2-N-cyclopropyl-4-N-[5-[2-[(dimethylamino)methyl]phenyl]-3-pyridinyl]pyridine-2,4-dicarboxamide
CID 141452937
4-N-(5-cyclobutyl-3-pyridinyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 141453014
4-N-(5-benzyl-3-pyridinyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 141452931
2-N-cyclopropyl-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109078757
N-[3-(difluoromethoxy)phenyl]-5-phenylpyridine-3-carboxamide
CID 174628040
2-N-cyclopentyl-4-N-(3,5-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109081008
4-N-(3-acetylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080981
4-N-(3-chloro-4-fluorophenyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078718
4-N-cyclopentyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide
CID 109080807
2-N-cyclopropyl-4-N-[6-(2-fluorophenyl)pyrazin-2-yl]pyridine-2,4-dicarboxamide
CID 141452902

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-4-N-[5-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-cyclopropyl-4-N-[5-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyridine-2,4-dicarboxamide (CID 141452929) is 2-N-cyclopropyl-4-N-[5-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-cyclopropyl-4-N-[5-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-cyclopropyl-4-N-[5-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyridine-2,4-dicarboxamide is O=C(Nc1cncc(-c2cccc(OC(F)F)c2)c1)c1ccnc(C(=O)NC2CC2)c1.
What is the InChIKey of 2-N-cyclopropyl-4-N-[5-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyridine-2,4-dicarboxamide?
The InChIKey is JROBNLJBKUCZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O3/c23-22(24)31-18-3-1-2-13(9-18)15-8-17(12-25-11-15)28-20(29)14-6-7-26-19(10-14)21(30)27-16-4-5-16/h1-3,6-12,16,22H,4-5H2,(H,27,30)(H,28,29).
What are the key properties of 2-N-cyclopropyl-4-N-[5-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyridine-2,4-dicarboxamide?
2-N-cyclopropyl-4-N-[5-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyridine-2,4-dicarboxamide has a molecular weight of 424.41 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-4-N-[5-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 141452929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).