N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide

C19H23FN4O2 — CID 4136501

IUPACN-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
SMILESCCCN(CCC(=O)NCc1ccc(F)cc1)C(=O)c1cnc(C)cn1
InChIInChI=1S/C19H23FN4O2/c1-3-9-24(19(26)17-13-21-14(2)11-22-17)10-8-18(25)23-12-15-4-6-16(20)7-5-15/h4-7,11,13H,3,8-10,12H2,1-2H3,(H,23,25)
InChIKeyDJQXSQRWJMZDTK-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.48
Rot. Bonds8

About N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide

N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide (PubChem CID 4136501) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
PubChem CID4136501
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC NameN-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
SMILESCCCN(CCC(=O)NCc1ccc(F)cc1)C(=O)c1cnc(C)cn1
InChIInChI=1S/C19H23FN4O2/c1-3-9-24(19(26)17-13-21-14(2)11-22-17)10-8-18(25)23-12-15-4-6-16(20)7-5-15/h4-7,11,13H,3,8-10,12H2,1-2H3,(H,23,25)
InChIKeyDJQXSQRWJMZDTK-UHFFFAOYSA-N
XLogP2.48
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(benzylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 5204065
5-methyl-N-[3-oxo-3-(propylamino)propyl]-N-propylpyrazine-2-carboxamide
CID 4623539
5-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-N-propylpyrazine-2-carboxamide
CID 4170520
5-[(4-fluorophenyl)methylamino]-N,N-dipropylpyrazine-2-carboxamide
CID 109281705
N-hexyl-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide
CID 7230966
ethyl 4-[3-[(5-methylpyrazine-2-carbonyl)-propylamino]propanoyl]piperazine-1-carboxylate
CID 4658031
N-benzyl-N-[3-(butylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 4284505
N-benzyl-5-methyl-N-propylpyrazine-2-carboxamide
CID 78781899
N-hexyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 7271625
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 5151128
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 3533297
N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 7419199

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide?
The IUPAC name of N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide (CID 4136501) is N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide?
The canonical SMILES for N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide is CCCN(CCC(=O)NCc1ccc(F)cc1)C(=O)c1cnc(C)cn1.
What is the InChIKey of N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide?
The InChIKey is DJQXSQRWJMZDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-3-9-24(19(26)17-13-21-14(2)11-22-17)10-8-18(25)23-12-15-4-6-16(20)7-5-15/h4-7,11,13H,3,8-10,12H2,1-2H3,(H,23,25).
What are the key properties of N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide?
N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide is sourced from PubChem (CID 4136501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).