N-[(1-benzylpiperidin-4-ylidene)amino]-4-bromo-1H-pyrrole-2-carboxamide

C17H19BrN4O — CID 8982682

IUPACN-[(1-benzylpiperidin-4-ylidene)amino]-4-bromo-1H-pyrrole-2-carboxamide
SMILESO=C(NN=C1CCN(Cc2ccccc2)CC1)c1cc(Br)c[nH]1
InChIInChI=1S/C17H19BrN4O/c18-14-10-16(19-11-14)17(23)21-20-15-6-8-22(9-7-15)12-13-4-2-1-3-5-13/h1-5,10-11,19H,6-9,12H2,(H,21,23)
InChIKeyFSJBJOGZVDLXSM-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.16
Rot. Bonds4

About N-[(1-benzylpiperidin-4-ylidene)amino]-4-bromo-1H-pyrrole-2-carboxamide

N-[(1-benzylpiperidin-4-ylidene)amino]-4-bromo-1H-pyrrole-2-carboxamide (PubChem CID 8982682) has the molecular formula C17H19BrN4O and a molecular weight of 375.27 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-ylidene)amino]-4-bromo-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-ylidene)amino]-4-bromo-1H-pyrrole-2-carboxamide
PubChem CID8982682
Molecular FormulaC17H19BrN4O
Molecular Weight375.27 g/mol
Exact Mass374.07
IUPAC NameN-[(1-benzylpiperidin-4-ylidene)amino]-4-bromo-1H-pyrrole-2-carboxamide
SMILESO=C(NN=C1CCN(Cc2ccccc2)CC1)c1cc(Br)c[nH]1
InChIInChI=1S/C17H19BrN4O/c18-14-10-16(19-11-14)17(23)21-20-15-6-8-22(9-7-15)12-13-4-2-1-3-5-13/h1-5,10-11,19H,6-9,12H2,(H,21,23)
InChIKeyFSJBJOGZVDLXSM-UHFFFAOYSA-N
XLogP3.16
TPSA60.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-4-bromo-1H-pyrrole-2-carboxamide
CID 55850060
N-[(1-benzylpiperidin-4-ylidene)amino]benzamide
CID 746769
N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dichlorobenzamide
CID 1219274
N-[(1-benzylpiperidin-4-ylidene)amino]thiophene-2-carboxamide
CID 3516684
N,N'-bis[(1-benzylpiperidin-4-ylidene)amino]hexanediamide
CID 4198414
N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dimethylbenzamide
CID 167799834
N-[(1-benzylpiperidin-4-ylidene)amino]-2,5-dimethylfuran-3-carboxamide
CID 8518796
N-[(1-benzylpiperidin-4-ylidene)amino]-3,4,5-triethoxybenzamide
CID 4244582
N-[(1-benzylpiperidin-4-ylidene)amino]-4-(phenoxymethyl)benzamide
CID 8518184
N-[(1-benzylpiperidin-4-ylidene)amino]-3-chloro-6-methyl-1-benzothiophene-2-carboxamide
CID 5058858
N-[(Z)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-4-bromo-1H-pyrrole-2-carboxamide
CID 8983018
(2R)-N-[(1-benzylpiperidin-4-ylidene)amino]-2-benzylsulfanylpropanamide
CID 126354048

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]-4-bromo-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]-4-bromo-1H-pyrrole-2-carboxamide (CID 8982682) is N-[(1-benzylpiperidin-4-ylidene)amino]-4-bromo-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-ylidene)amino]-4-bromo-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-ylidene)amino]-4-bromo-1H-pyrrole-2-carboxamide is O=C(NN=C1CCN(Cc2ccccc2)CC1)c1cc(Br)c[nH]1.
What is the InChIKey of N-[(1-benzylpiperidin-4-ylidene)amino]-4-bromo-1H-pyrrole-2-carboxamide?
The InChIKey is FSJBJOGZVDLXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O/c18-14-10-16(19-11-14)17(23)21-20-15-6-8-22(9-7-15)12-13-4-2-1-3-5-13/h1-5,10-11,19H,6-9,12H2,(H,21,23).
What are the key properties of N-[(1-benzylpiperidin-4-ylidene)amino]-4-bromo-1H-pyrrole-2-carboxamide?
N-[(1-benzylpiperidin-4-ylidene)amino]-4-bromo-1H-pyrrole-2-carboxamide has a molecular weight of 375.27 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-ylidene)amino]-4-bromo-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 8982682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).