4-N-[5-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide

C21H16ClFN4O2 — CID 141452915

IUPAC4-N-[5-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide
SMILESO=C(Nc1cncc(-c2cc(Cl)ccc2F)c1)c1ccnc(C(=O)NC2CC2)c1
InChIInChI=1S/C21H16ClFN4O2/c22-14-1-4-18(23)17(9-14)13-7-16(11-24-10-13)27-20(28)12-5-6-25-19(8-12)21(29)26-15-2-3-15/h1,4-11,15H,2-3H2,(H,26,29)(H,27,28)
InChIKeyARPZTFBLXJKYDN-UHFFFAOYSA-N
MW410.84 g/mol
LogP4.08
Rot. Bonds5

About 4-N-[5-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide

4-N-[5-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide (PubChem CID 141452915) has the molecular formula C21H16ClFN4O2 and a molecular weight of 410.84 g/mol. Its IUPAC name is 4-N-[5-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[5-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide
PubChem CID141452915
Molecular FormulaC21H16ClFN4O2
Molecular Weight410.84 g/mol
Exact Mass410.09
IUPAC Name4-N-[5-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide
SMILESO=C(Nc1cncc(-c2cc(Cl)ccc2F)c1)c1ccnc(C(=O)NC2CC2)c1
InChIInChI=1S/C21H16ClFN4O2/c22-14-1-4-18(23)17(9-14)13-7-16(11-24-10-13)27-20(28)12-5-6-25-19(8-12)21(29)26-15-2-3-15/h1,4-11,15H,2-3H2,(H,26,29)(H,27,28)
InChIKeyARPZTFBLXJKYDN-UHFFFAOYSA-N
XLogP4.08
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.84
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-chloro-4-fluorophenyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078718
2-N-cyclopropyl-4-N-[5-[2-[(dimethylamino)methyl]phenyl]-3-pyridinyl]pyridine-2,4-dicarboxamide
CID 141452937
2-N-cyclopropyl-4-N-[5-(2-propoxyphenyl)-3-pyridinyl]pyridine-2,4-dicarboxamide
CID 141452889
2-N-cyclopropyl-4-N-[5-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyridine-2,4-dicarboxamide
CID 141452929
4-N-(5-cyclobutyl-3-pyridinyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 141453014
2-N-(3-chloro-4-fluorophenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080795
2-N-cyclopentyl-4-N-(3,5-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109081008
2-N-(3-chloro-4-fluorophenyl)-4-N-cycloheptylpyridine-2,4-dicarboxamide
CID 109089398
4-N-(5-chloro-2-methylphenyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078715
2-N-cyclopropyl-4-N-[6-(2-fluorophenyl)pyrazin-2-yl]pyridine-2,4-dicarboxamide
CID 141452902
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

Frequently Asked Questions

What is the IUPAC name of 4-N-[5-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-[5-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide (CID 141452915) is 4-N-[5-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[5-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[5-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide is O=C(Nc1cncc(-c2cc(Cl)ccc2F)c1)c1ccnc(C(=O)NC2CC2)c1.
What is the InChIKey of 4-N-[5-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide?
The InChIKey is ARPZTFBLXJKYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN4O2/c22-14-1-4-18(23)17(9-14)13-7-16(11-24-10-13)27-20(28)12-5-6-25-19(8-12)21(29)26-15-2-3-15/h1,4-11,15H,2-3H2,(H,26,29)(H,27,28).
What are the key properties of 4-N-[5-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide?
4-N-[5-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide has a molecular weight of 410.84 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[5-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 141452915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).