2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide

C18H23FN4O — CID 72886848

IUPAC2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
SMILESCc1cnccc1NCCNC(=O)C(c1ccc(F)cc1)N(C)C
InChIInChI=1S/C18H23FN4O/c1-13-12-20-9-8-16(13)21-10-11-22-18(24)17(23(2)3)14-4-6-15(19)7-5-14/h4-9,12,17H,10-11H2,1-3H3,(H,20,21)(H,22,24)
InChIKeyYNNIVXSIPCJQMX-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.36
Rot. Bonds7

About 2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide

2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide (PubChem CID 72886848) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
PubChem CID72886848
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
SMILESCc1cnccc1NCCNC(=O)C(c1ccc(F)cc1)N(C)C
InChIInChI=1S/C18H23FN4O/c1-13-12-20-9-8-16(13)21-10-11-22-18(24)17(23(2)3)14-4-6-15(19)7-5-14/h4-9,12,17H,10-11H2,1-3H3,(H,20,21)(H,22,24)
InChIKeyYNNIVXSIPCJQMX-UHFFFAOYSA-N
XLogP2.36
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 12136798
Ximelegatran
CID 448042
Niaprazine
CID 71919
(1Z)-5-Fluoro-2-methyl-N-(phenylmethyl)-1-(4-pyridinylmethylene)-1H-indene-3-acetamide hydrochloride (1:1)
CID 6445781
Mono-N-dealkyldisopyramide
CID 107858
N-(4-pyridyl)benzamide
CID 78893
N-(2-Amino-5-fluorophenyl)-4-[[[1-oxo-3-(3-pyridinyl)-2-propen-1-yl]amino]methyl]benzamide
CID 9800555
CR665
CID 25030387
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(pyridin-4-yl)phenyl]ethyl]amino}pentanamide
CID 10194354
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-{4-[4-(pyridin-4-yl)phenyl]phenyl}ethyl]amino}pentanamide
CID 23648309
4-Methyl-N-4-pyridinylbenzamide
CID 84517
Y-27632 dihydrochloride
CID 9901617

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide?
The IUPAC name of 2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide (CID 72886848) is 2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide is Cc1cnccc1NCCNC(=O)C(c1ccc(F)cc1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide?
The InChIKey is YNNIVXSIPCJQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-13-12-20-9-8-16(13)21-10-11-22-18(24)17(23(2)3)14-4-6-15(19)7-5-14/h4-9,12,17H,10-11H2,1-3H3,(H,20,21)(H,22,24).
What are the key properties of 2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide?
2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide has a molecular weight of 330.41 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide is sourced from PubChem (CID 72886848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).