N-[3-(diethylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide

C19H23FN4O2 — CID 42783231

IUPACN-[3-(diethylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
SMILESCCN(CC)C(=O)CCN(Cc1ccc(F)cc1)C(=O)c1cnccn1
InChIInChI=1S/C19H23FN4O2/c1-3-23(4-2)18(25)9-12-24(14-15-5-7-16(20)8-6-15)19(26)17-13-21-10-11-22-17/h5-8,10-11,13H,3-4,9,12,14H2,1-2H3
InChIKeyPBPXQBFITWSYEA-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.52
Rot. Bonds8

About N-[3-(diethylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide

N-[3-(diethylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide (PubChem CID 42783231) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[3-(diethylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
PubChem CID42783231
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC NameN-[3-(diethylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
SMILESCCN(CC)C(=O)CCN(Cc1ccc(F)cc1)C(=O)c1cnccn1
InChIInChI=1S/C19H23FN4O2/c1-3-23(4-2)18(25)9-12-24(14-15-5-7-16(20)8-6-15)19(26)17-13-21-10-11-22-17/h5-8,10-11,13H,3-4,9,12,14H2,1-2H3
InChIKeyPBPXQBFITWSYEA-UHFFFAOYSA-N
XLogP2.52
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(diethylamino)-3-oxopropyl]-N-propylpyrazine-2-carboxamide
CID 3621846
N-butyl-N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 5059677
N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-oxopropyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 4143530
N-[3-(diethylamino)-3-oxopropyl]-N-(2-methoxyethyl)pyrazine-2-carboxamide
CID 42783341
N-[(4-fluorophenyl)methyl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide
CID 42783239
N-cyclopropyl-N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 3402919
methyl 3-[ethyl(pyrazine-2-carbonyl)amino]propanoate
CID 54899038
N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 51088431
N-benzyl-N-[3-(benzylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 4143775
N-benzyl-N-[3-oxo-3-(2-phenylethylamino)propyl]pyrazine-2-carboxamide
CID 5083778
N-benzyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7362227
N-benzyl-N-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7362225

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-(diethylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide (CID 42783231) is N-[3-(diethylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(diethylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide is CCN(CC)C(=O)CCN(Cc1ccc(F)cc1)C(=O)c1cnccn1.
What is the InChIKey of N-[3-(diethylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is PBPXQBFITWSYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-3-23(4-2)18(25)9-12-24(14-15-5-7-16(20)8-6-15)19(26)17-13-21-10-11-22-17/h5-8,10-11,13H,3-4,9,12,14H2,1-2H3.
What are the key properties of N-[3-(diethylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide?
N-[3-(diethylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 42783231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).