N-(furan-2-ylmethyl)-4-[4-(1-hydroxy-2-methylpropyl)piperidin-1-yl]pyridine-2-carboxamide

C20H27N3O3 — CID 56869038

IUPACN-(furan-2-ylmethyl)-4-[4-(1-hydroxy-2-methylpropyl)piperidin-1-yl]pyridine-2-carboxamide
SMILESCC(C)C(O)C1CCN(c2ccnc(C(=O)NCc3ccco3)c2)CC1
InChIInChI=1S/C20H27N3O3/c1-14(2)19(24)15-6-9-23(10-7-15)16-5-8-21-18(12-16)20(25)22-13-17-4-3-11-26-17/h3-5,8,11-12,14-15,19,24H,6-7,9-10,13H2,1-2H3,(H,22,25)
InChIKeyQXHAKPPWQQAOBT-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.84
Rot. Bonds6

About N-(furan-2-ylmethyl)-4-[4-(1-hydroxy-2-methylpropyl)piperidin-1-yl]pyridine-2-carboxamide

N-(furan-2-ylmethyl)-4-[4-(1-hydroxy-2-methylpropyl)piperidin-1-yl]pyridine-2-carboxamide (PubChem CID 56869038) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[4-(1-hydroxy-2-methylpropyl)piperidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[4-(1-hydroxy-2-methylpropyl)piperidin-1-yl]pyridine-2-carboxamide
PubChem CID56869038
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-(furan-2-ylmethyl)-4-[4-(1-hydroxy-2-methylpropyl)piperidin-1-yl]pyridine-2-carboxamide
SMILESCC(C)C(O)C1CCN(c2ccnc(C(=O)NCc3ccco3)c2)CC1
InChIInChI=1S/C20H27N3O3/c1-14(2)19(24)15-6-9-23(10-7-15)16-5-8-21-18(12-16)20(25)22-13-17-4-3-11-26-17/h3-5,8,11-12,14-15,19,24H,6-7,9-10,13H2,1-2H3,(H,22,25)
InChIKeyQXHAKPPWQQAOBT-UHFFFAOYSA-N
XLogP2.84
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azepan-1-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209338
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209317
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209310
N-ethyl-4-[4-[1-(methylamino)ethyl]piperidin-1-yl]pyridine-2-carboxamide
CID 63853012
N-(furan-2-ylmethyl)-4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxamide
CID 95528034
4-(2-ethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109085186
N-(furan-2-ylmethyl)-4-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109209427
2-N-cyclopentyl-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109080870
N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 103657241
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 112625915
N-(furan-2-ylmethyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082801
4-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 56910861

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-[4-(1-hydroxy-2-methylpropyl)piperidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-[4-(1-hydroxy-2-methylpropyl)piperidin-1-yl]pyridine-2-carboxamide (CID 56869038) is N-(furan-2-ylmethyl)-4-[4-(1-hydroxy-2-methylpropyl)piperidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[4-(1-hydroxy-2-methylpropyl)piperidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[4-(1-hydroxy-2-methylpropyl)piperidin-1-yl]pyridine-2-carboxamide is CC(C)C(O)C1CCN(c2ccnc(C(=O)NCc3ccco3)c2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[4-(1-hydroxy-2-methylpropyl)piperidin-1-yl]pyridine-2-carboxamide?
The InChIKey is QXHAKPPWQQAOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14(2)19(24)15-6-9-23(10-7-15)16-5-8-21-18(12-16)20(25)22-13-17-4-3-11-26-17/h3-5,8,11-12,14-15,19,24H,6-7,9-10,13H2,1-2H3,(H,22,25).
What are the key properties of N-(furan-2-ylmethyl)-4-[4-(1-hydroxy-2-methylpropyl)piperidin-1-yl]pyridine-2-carboxamide?
N-(furan-2-ylmethyl)-4-[4-(1-hydroxy-2-methylpropyl)piperidin-1-yl]pyridine-2-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-[4-(1-hydroxy-2-methylpropyl)piperidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 56869038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).