4-(2,2-difluoroethyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]morpholine-3-carboxamide

C15H21F2N3O2 — CID 136538734

IUPAC4-(2,2-difluoroethyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]morpholine-3-carboxamide
SMILESCc1cccc(CCNC(=O)C2COCCN2CC(F)F)n1
InChIInChI=1S/C15H21F2N3O2/c1-11-3-2-4-12(19-11)5-6-18-15(21)13-10-22-8-7-20(13)9-14(16)17/h2-4,13-14H,5-10H2,1H3,(H,18,21)
InChIKeyCXVVOOBTMPZWTP-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.01
Rot. Bonds6

About 4-(2,2-difluoroethyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]morpholine-3-carboxamide

4-(2,2-difluoroethyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]morpholine-3-carboxamide (PubChem CID 136538734) has the molecular formula C15H21F2N3O2 and a molecular weight of 313.35 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]morpholine-3-carboxamide
PubChem CID136538734
Molecular FormulaC15H21F2N3O2
Molecular Weight313.35 g/mol
Exact Mass313.16
IUPAC Name4-(2,2-difluoroethyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]morpholine-3-carboxamide
SMILESCc1cccc(CCNC(=O)C2COCCN2CC(F)F)n1
InChIInChI=1S/C15H21F2N3O2/c1-11-3-2-4-12(19-11)5-6-18-15(21)13-10-22-8-7-20(13)9-14(16)17/h2-4,13-14H,5-10H2,1H3,(H,18,21)
InChIKeyCXVVOOBTMPZWTP-UHFFFAOYSA-N
XLogP1.01
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-4-(2,2-difluoroethyl)-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]morpholine-3-carboxamide
CID 100613737
(3S)-4-(2,2-difluoroethyl)-N-(5-ethyl-1,3-thiazol-2-yl)morpholine-3-carboxamide
CID 99785914
(3R)-N-[2-(3-chlorophenyl)ethyl]-4-ethylmorpholine-3-carboxamide
CID 97099885
(3S)-4-(2,2-difluoroethyl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)morpholine-3-carboxamide
CID 99827106
1-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 72852401
(3S)-4-(cyclobutylmethyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)morpholine-3-carboxamide
CID 124619070
4-[(3,6-dichloro-2-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83098821
4-(3-amino-2-phenylpropyl)-N-ethylmorpholine-3-carboxamide
CID 83098381
4-(3-amino-2-methylpropyl)-N-ethylmorpholine-3-carboxamide
CID 83106373
4-[(1R)-1-hydroxy-2-phenylethyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]piperidine-1-carboxamide
CID 126428645
(4S)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylazepane-1-carboxamide
CID 125141015
N-[[4-[(6-methyl-2-pyridinyl)methyl]morpholin-3-yl]methyl]propan-2-amine
CID 83100188

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]morpholine-3-carboxamide?
The IUPAC name of 4-(2,2-difluoroethyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]morpholine-3-carboxamide (CID 136538734) is 4-(2,2-difluoroethyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-(2,2-difluoroethyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]morpholine-3-carboxamide?
The canonical SMILES for 4-(2,2-difluoroethyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]morpholine-3-carboxamide is Cc1cccc(CCNC(=O)C2COCCN2CC(F)F)n1.
What is the InChIKey of 4-(2,2-difluoroethyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]morpholine-3-carboxamide?
The InChIKey is CXVVOOBTMPZWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O2/c1-11-3-2-4-12(19-11)5-6-18-15(21)13-10-22-8-7-20(13)9-14(16)17/h2-4,13-14H,5-10H2,1H3,(H,18,21).
What are the key properties of 4-(2,2-difluoroethyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]morpholine-3-carboxamide?
4-(2,2-difluoroethyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]morpholine-3-carboxamide has a molecular weight of 313.35 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]morpholine-3-carboxamide is sourced from PubChem (CID 136538734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).