4-(4-acetylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide

C20H21FN4O3 — CID 109084860

IUPAC4-(4-acetylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2ccnc(C(=O)NCc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C20H21FN4O3/c1-14(26)24-8-10-25(11-9-24)20(28)16-6-7-22-18(12-16)19(27)23-13-15-2-4-17(21)5-3-15/h2-7,12H,8-11,13H2,1H3,(H,23,27)
InChIKeyDNKDKXALMFEBCU-UHFFFAOYSA-N
MW384.41 g/mol
LogP1.46
Rot. Bonds4

About 4-(4-acetylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide

4-(4-acetylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide (PubChem CID 109084860) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 4-(4-acetylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-acetylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
PubChem CID109084860
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name4-(4-acetylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2ccnc(C(=O)NCc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C20H21FN4O3/c1-14(26)24-8-10-25(11-9-24)20(28)16-6-7-22-18(12-16)19(27)23-13-15-2-4-17(21)5-3-15/h2-7,12H,8-11,13H2,1H3,(H,23,27)
InChIKeyDNKDKXALMFEBCU-UHFFFAOYSA-N
XLogP1.46
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084148
4-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-2-carboxamide
CID 109084853
4-(4-acetylpiperazine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109084859
N-[(4-fluorophenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109086578
N-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080350
N-[(4-methoxyphenyl)methyl]-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081049
4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085281
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109085941
4-N-[2-(4-fluorophenyl)ethyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086566
2-N-butyl-4-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079398
4-N-[(2-fluorophenyl)methyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086328
4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109084898

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide (CID 109084860) is 4-(4-acetylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-acetylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-acetylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide is CC(=O)N1CCN(C(=O)c2ccnc(C(=O)NCc3ccc(F)cc3)c2)CC1.
What is the InChIKey of 4-(4-acetylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is DNKDKXALMFEBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-14(26)24-8-10-25(11-9-24)20(28)16-6-7-22-18(12-16)19(27)23-13-15-2-4-17(21)5-3-15/h2-7,12H,8-11,13H2,1H3,(H,23,27).
What are the key properties of 4-(4-acetylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
4-(4-acetylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109084860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).