N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]furan-2-carboxamide

C17H21N3O2 — CID 100803151

IUPACN-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]furan-2-carboxamide
SMILESC[C@H]1CCCCN1c1ccc(N)cc1NC(=O)c1ccco1
InChIInChI=1S/C17H21N3O2/c1-12-5-2-3-9-20(12)15-8-7-13(18)11-14(15)19-17(21)16-6-4-10-22-16/h4,6-8,10-12H,2-3,5,9,18H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyZGJNYCUXXQOZTM-LBPRGKRZSA-N
MW299.37 g/mol
LogP3.49
Rot. Bonds3

About N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]furan-2-carboxamide

N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]furan-2-carboxamide (PubChem CID 100803151) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]furan-2-carboxamide
PubChem CID100803151
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]furan-2-carboxamide
SMILESC[C@H]1CCCCN1c1ccc(N)cc1NC(=O)c1ccco1
InChIInChI=1S/C17H21N3O2/c1-12-5-2-3-9-20(12)15-8-7-13(18)11-14(15)19-17(21)16-6-4-10-22-16/h4,6-8,10-12H,2-3,5,9,18H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyZGJNYCUXXQOZTM-LBPRGKRZSA-N
XLogP3.49
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]furan-2-carboxamide
CID 91675412
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 91675417
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]benzamide
CID 91675423
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-chlorobenzamide
CID 100803176
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-iodobenzamide
CID 100803229
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-4-chlorobenzamide
CID 100803194
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]propanamide
CID 100803131
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-methoxybenzamide
CID 100803206
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-chloro-4-methylbenzamide
CID 100803211
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-3,4-dimethoxybenzamide
CID 100803208
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-3,5-dichloro-4-methoxybenzamide
CID 100803251
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]pentanamide
CID 91675384

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]furan-2-carboxamide (CID 100803151) is N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]furan-2-carboxamide is C[C@H]1CCCCN1c1ccc(N)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]furan-2-carboxamide?
The InChIKey is ZGJNYCUXXQOZTM-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-5-2-3-9-20(12)15-8-7-13(18)11-14(15)19-17(21)16-6-4-10-22-16/h4,6-8,10-12H,2-3,5,9,18H2,1H3,(H,19,21)/t12-/m0/s1.
What are the key properties of N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]furan-2-carboxamide?
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]furan-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 100803151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).