N-[3-(4-chloro-2-fluoroanilino)-4-pyridinyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide

C22H21ClFN5O2 — CID 90433890

IUPACN-[3-(4-chloro-2-fluoroanilino)-4-pyridinyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1cc(N2CCOCC2)ncc1C(=O)Nc1ccncc1Nc1ccc(Cl)cc1F
InChIInChI=1S/C22H21ClFN5O2/c1-14-10-21(29-6-8-31-9-7-29)26-12-16(14)22(30)28-19-4-5-25-13-20(19)27-18-3-2-15(23)11-17(18)24/h2-5,10-13,27H,6-9H2,1H3,(H,25,28,30)
InChIKeyGLEOEWUDEQPPSE-UHFFFAOYSA-N
MW441.89 g/mol
LogP4.41
Rot. Bonds5

About N-[3-(4-chloro-2-fluoroanilino)-4-pyridinyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide

N-[3-(4-chloro-2-fluoroanilino)-4-pyridinyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 90433890) has the molecular formula C22H21ClFN5O2 and a molecular weight of 441.89 g/mol. Its IUPAC name is N-[3-(4-chloro-2-fluoroanilino)-4-pyridinyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chloro-2-fluoroanilino)-4-pyridinyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID90433890
Molecular FormulaC22H21ClFN5O2
Molecular Weight441.89 g/mol
Exact Mass441.14
IUPAC NameN-[3-(4-chloro-2-fluoroanilino)-4-pyridinyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1cc(N2CCOCC2)ncc1C(=O)Nc1ccncc1Nc1ccc(Cl)cc1F
InChIInChI=1S/C22H21ClFN5O2/c1-14-10-21(29-6-8-31-9-7-29)26-12-16(14)22(30)28-19-4-5-25-13-20(19)27-18-3-2-15(23)11-17(18)24/h2-5,10-13,27H,6-9H2,1H3,(H,25,28,30)
InChIKeyGLEOEWUDEQPPSE-UHFFFAOYSA-N
XLogP4.41
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.89
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-2-fluoroanilino)-4-pyridinyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[3-(4-chloro-2-fluoroanilino)-4-pyridinyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide (CID 90433890) is N-[3-(4-chloro-2-fluoroanilino)-4-pyridinyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-(4-chloro-2-fluoroanilino)-4-pyridinyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[3-(4-chloro-2-fluoroanilino)-4-pyridinyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide is Cc1cc(N2CCOCC2)ncc1C(=O)Nc1ccncc1Nc1ccc(Cl)cc1F.
What is the InChIKey of N-[3-(4-chloro-2-fluoroanilino)-4-pyridinyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is GLEOEWUDEQPPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN5O2/c1-14-10-21(29-6-8-31-9-7-29)26-12-16(14)22(30)28-19-4-5-25-13-20(19)27-18-3-2-15(23)11-17(18)24/h2-5,10-13,27H,6-9H2,1H3,(H,25,28,30).
What are the key properties of N-[3-(4-chloro-2-fluoroanilino)-4-pyridinyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
N-[3-(4-chloro-2-fluoroanilino)-4-pyridinyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 441.89 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-2-fluoroanilino)-4-pyridinyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 90433890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).