N-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide

C21H23N5O3 — CID 53087562

IUPACN-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(C(=O)c3cc(-c4ccncc4)n[nH]3)CC2)o1
InChIInChI=1S/C21H23N5O3/c1-14-2-3-17(29-14)13-23-20(27)16-6-10-26(11-7-16)21(28)19-12-18(24-25-19)15-4-8-22-9-5-15/h2-5,8-9,12,16H,6-7,10-11,13H2,1H3,(H,23,27)(H,24,25)
InChIKeyKQLWYXKIOJOPBK-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.54
Rot. Bonds5

About N-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide

N-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide (PubChem CID 53087562) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
PubChem CID53087562
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(C(=O)c3cc(-c4ccncc4)n[nH]3)CC2)o1
InChIInChI=1S/C21H23N5O3/c1-14-2-3-17(29-14)13-23-20(27)16-6-10-26(11-7-16)21(28)19-12-18(24-25-19)15-4-8-22-9-5-15/h2-5,8-9,12,16H,6-7,10-11,13H2,1H3,(H,23,27)(H,24,25)
InChIKeyKQLWYXKIOJOPBK-UHFFFAOYSA-N
XLogP2.54
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide (CID 53087562) is N-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(C(=O)c3cc(-c4ccncc4)n[nH]3)CC2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide?
The InChIKey is KQLWYXKIOJOPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-14-2-3-17(29-14)13-23-20(27)16-6-10-26(11-7-16)21(28)19-12-18(24-25-19)15-4-8-22-9-5-15/h2-5,8-9,12,16H,6-7,10-11,13H2,1H3,(H,23,27)(H,24,25).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide?
N-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 53087562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).