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

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Related Compounds

Furan-2-carboxamide deriv., 26
CID 44236909
Furan-2-carboxamide deriv., 28
CID 44236911
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyl-5-pyridin-3-yl-1,3-oxazol-4-yl)ethyl]pyrazole-5-carboxamide
CID 71288692
US10022354, Example 7
CID 121279570
US10022354, Example 70
CID 121279678
3-(5-Methyl-2-furyl)-N'-(3-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6872294
N-(3-{N-[5-(1H-pyrazol-1-ylmethyl)-2-furoyl]ethanehydrazonoyl}phenyl)isonicotinamide
CID 5431606
4-(4-Isopropoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-1-isopropyl-N-(oxetan-3-yl)-1H-pyrrole-2-carboxaMide
CID 56941655
US10022354, Example 52
CID 121279730
N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-5-carboxamide
CID 154654432
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(furan-2-ylmethyl)-5-phenyl-1H-pyrrole-2-carboxamide
CID 3180466
N'-[(E)-(4-ethoxyphenyl)methylidene]-3-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazole-5-carbohydrazide
CID 6869471

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).