2-(4-aminopiperidin-1-yl)-5-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-1H-pyrrole-3-carboxamide

C23H24FN5O — CID 24961190

IUPAC2-(4-aminopiperidin-1-yl)-5-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2ccnc(/C=C/c3ccc(F)cc3)c2)[nH]c1N1CCC(N)CC1
InChIInChI=1S/C23H24FN5O/c24-17-4-1-15(2-5-17)3-6-19-13-16(7-10-27-19)21-14-20(22(26)30)23(28-21)29-11-8-18(25)9-12-29/h1-7,10,13-14,18,28H,8-9,11-12,25H2,(H2,26,30)/b6-3+
InChIKeyQFOBIDODWZTXPF-ZZXKWVIFSA-N
MW405.48 g/mol
LogP3.41
Rot. Bonds5

About 2-(4-aminopiperidin-1-yl)-5-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-1H-pyrrole-3-carboxamide

2-(4-aminopiperidin-1-yl)-5-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-1H-pyrrole-3-carboxamide (PubChem CID 24961190) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-5-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-5-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-1H-pyrrole-3-carboxamide
PubChem CID24961190
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name2-(4-aminopiperidin-1-yl)-5-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2ccnc(/C=C/c3ccc(F)cc3)c2)[nH]c1N1CCC(N)CC1
InChIInChI=1S/C23H24FN5O/c24-17-4-1-15(2-5-17)3-6-19-13-16(7-10-27-19)21-14-20(22(26)30)23(28-21)29-11-8-18(25)9-12-29/h1-7,10,13-14,18,28H,8-9,11-12,25H2,(H2,26,30)/b6-3+
InChIKeyQFOBIDODWZTXPF-ZZXKWVIFSA-N
XLogP3.41
TPSA101.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-5-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-5-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-1H-pyrrole-3-carboxamide (CID 24961190) is 2-(4-aminopiperidin-1-yl)-5-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-5-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-5-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-1H-pyrrole-3-carboxamide is NC(=O)c1cc(-c2ccnc(/C=C/c3ccc(F)cc3)c2)[nH]c1N1CCC(N)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-5-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-1H-pyrrole-3-carboxamide?
The InChIKey is QFOBIDODWZTXPF-ZZXKWVIFSA-N. The full InChI is InChI=1S/C23H24FN5O/c24-17-4-1-15(2-5-17)3-6-19-13-16(7-10-27-19)21-14-20(22(26)30)23(28-21)29-11-8-18(25)9-12-29/h1-7,10,13-14,18,28H,8-9,11-12,25H2,(H2,26,30)/b6-3+.
What are the key properties of 2-(4-aminopiperidin-1-yl)-5-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-1H-pyrrole-3-carboxamide?
2-(4-aminopiperidin-1-yl)-5-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-1H-pyrrole-3-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-5-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 24961190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).