N-[5-(3-fluoropropylcarbamoyl)-2,4-dimethylphenyl]-6-morpholin-4-ylpyridine-3-carboxamide

C22H27FN4O3 — CID 126514787

IUPACN-[5-(3-fluoropropylcarbamoyl)-2,4-dimethylphenyl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NCCCF)cc1NC(=O)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C22H27FN4O3/c1-15-12-16(2)19(13-18(15)22(29)24-7-3-6-23)26-21(28)17-4-5-20(25-14-17)27-8-10-30-11-9-27/h4-5,12-14H,3,6-11H2,1-2H3,(H,24,29)(H,26,28)
InChIKeyABKBVAYHUJCJDW-UHFFFAOYSA-N
MW414.48 g/mol
LogP2.88
Rot. Bonds7

About N-[5-(3-fluoropropylcarbamoyl)-2,4-dimethylphenyl]-6-morpholin-4-ylpyridine-3-carboxamide

N-[5-(3-fluoropropylcarbamoyl)-2,4-dimethylphenyl]-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 126514787) has the molecular formula C22H27FN4O3 and a molecular weight of 414.48 g/mol. Its IUPAC name is N-[5-(3-fluoropropylcarbamoyl)-2,4-dimethylphenyl]-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(3-fluoropropylcarbamoyl)-2,4-dimethylphenyl]-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID126514787
Molecular FormulaC22H27FN4O3
Molecular Weight414.48 g/mol
Exact Mass414.21
IUPAC NameN-[5-(3-fluoropropylcarbamoyl)-2,4-dimethylphenyl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NCCCF)cc1NC(=O)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C22H27FN4O3/c1-15-12-16(2)19(13-18(15)22(29)24-7-3-6-23)26-21(28)17-4-5-20(25-14-17)27-8-10-30-11-9-27/h4-5,12-14H,3,6-11H2,1-2H3,(H,24,29)(H,26,28)
InChIKeyABKBVAYHUJCJDW-UHFFFAOYSA-N
XLogP2.88
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-methylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 34232545
N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17424831
N-(5-methyl-2-pyridinyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 18142509
N-(4-imidazol-1-ylbutyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 47073596
N-(3-morpholin-4-ylpropyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 84570657
N-(4-iodophenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17489612
6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 18142338
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 38760833
N-[2-methyl-5-[4-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 25106473
N-(4-hydroxy-2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 84571011
N-(3,4-diaminophenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 86248826
N-(4-ethoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17454919

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluoropropylcarbamoyl)-2,4-dimethylphenyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[5-(3-fluoropropylcarbamoyl)-2,4-dimethylphenyl]-6-morpholin-4-ylpyridine-3-carboxamide (CID 126514787) is N-[5-(3-fluoropropylcarbamoyl)-2,4-dimethylphenyl]-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-(3-fluoropropylcarbamoyl)-2,4-dimethylphenyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[5-(3-fluoropropylcarbamoyl)-2,4-dimethylphenyl]-6-morpholin-4-ylpyridine-3-carboxamide is Cc1cc(C)c(C(=O)NCCCF)cc1NC(=O)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of N-[5-(3-fluoropropylcarbamoyl)-2,4-dimethylphenyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is ABKBVAYHUJCJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O3/c1-15-12-16(2)19(13-18(15)22(29)24-7-3-6-23)26-21(28)17-4-5-20(25-14-17)27-8-10-30-11-9-27/h4-5,12-14H,3,6-11H2,1-2H3,(H,24,29)(H,26,28).
What are the key properties of N-[5-(3-fluoropropylcarbamoyl)-2,4-dimethylphenyl]-6-morpholin-4-ylpyridine-3-carboxamide?
N-[5-(3-fluoropropylcarbamoyl)-2,4-dimethylphenyl]-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 414.48 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluoropropylcarbamoyl)-2,4-dimethylphenyl]-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 126514787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).