N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]piperazin-1-yl]-2-fluorophenyl]-N-methylpropanamide

C22H28FN5O2 — CID 167695846

IUPACN-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]piperazin-1-yl]-2-fluorophenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(N2CCN(C(=O)CCc3ccc(N)nc3)CC2)cc1F
InChIInChI=1S/C22H28FN5O2/c1-3-21(29)26(2)19-7-6-17(14-18(19)23)27-10-12-28(13-11-27)22(30)9-5-16-4-8-20(24)25-15-16/h4,6-8,14-15H,3,5,9-13H2,1-2H3,(H2,24,25)
InChIKeyRJGIXMITHAXUBA-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.46
Rot. Bonds6

About N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]piperazin-1-yl]-2-fluorophenyl]-N-methylpropanamide

N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]piperazin-1-yl]-2-fluorophenyl]-N-methylpropanamide (PubChem CID 167695846) has the molecular formula C22H28FN5O2 and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]piperazin-1-yl]-2-fluorophenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]piperazin-1-yl]-2-fluorophenyl]-N-methylpropanamide
PubChem CID167695846
Molecular FormulaC22H28FN5O2
Molecular Weight413.50 g/mol
Exact Mass413.22
IUPAC NameN-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]piperazin-1-yl]-2-fluorophenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(N2CCN(C(=O)CCc3ccc(N)nc3)CC2)cc1F
InChIInChI=1S/C22H28FN5O2/c1-3-21(29)26(2)19-7-6-17(14-18(19)23)27-10-12-28(13-11-27)22(30)9-5-16-4-8-20(24)25-15-16/h4,6-8,14-15H,3,5,9-13H2,1-2H3,(H2,24,25)
InChIKeyRJGIXMITHAXUBA-UHFFFAOYSA-N
XLogP2.46
TPSA82.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-fluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide
CID 167606300
N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide
CID 167539534
N-[4-[6-[3-(6-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-3-fluorophenyl]-N-methylpropanamide
CID 167571065
N-[4-[3-[3-(6-amino-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide
CID 167670705
3-(4-ethylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 41448906
9-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-9-oxononanamide
CID 142371873
N-[2-fluoro-4-[3-hydroxy-4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167660370
N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]-3-chlorophenyl]phenyl]-N-methylpropanamide
CID 167616132
3-[2-(diethylamino)-4-pyridinyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 53186164
ethyl 5-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]-1-benzofuran-2-carboxylate
CID 118710572
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)propan-1-one
CID 87046447
1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-propoxyethanone
CID 107937396

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]piperazin-1-yl]-2-fluorophenyl]-N-methylpropanamide?
The IUPAC name of N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]piperazin-1-yl]-2-fluorophenyl]-N-methylpropanamide (CID 167695846) is N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]piperazin-1-yl]-2-fluorophenyl]-N-methylpropanamide.
What is the SMILES notation for N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]piperazin-1-yl]-2-fluorophenyl]-N-methylpropanamide?
The canonical SMILES for N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]piperazin-1-yl]-2-fluorophenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(N2CCN(C(=O)CCc3ccc(N)nc3)CC2)cc1F.
What is the InChIKey of N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]piperazin-1-yl]-2-fluorophenyl]-N-methylpropanamide?
The InChIKey is RJGIXMITHAXUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5O2/c1-3-21(29)26(2)19-7-6-17(14-18(19)23)27-10-12-28(13-11-27)22(30)9-5-16-4-8-20(24)25-15-16/h4,6-8,14-15H,3,5,9-13H2,1-2H3,(H2,24,25).
What are the key properties of N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]piperazin-1-yl]-2-fluorophenyl]-N-methylpropanamide?
N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]piperazin-1-yl]-2-fluorophenyl]-N-methylpropanamide has a molecular weight of 413.50 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]piperazin-1-yl]-2-fluorophenyl]-N-methylpropanamide is sourced from PubChem (CID 167695846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).