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

C17H22N4O2 — CID 77093957

IUPACN-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NC2CCN(Cc3ccco3)CC2)ccn1
InChIInChI=1S/C17H22N4O2/c1-18-16-11-13(4-7-19-16)17(22)20-14-5-8-21(9-6-14)12-15-3-2-10-23-15/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3,(H,18,19)(H,20,22)
InChIKeyRYIBEMJLMPMLEM-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.11
Rot. Bonds5

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

N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-(methylamino)pyridine-4-carboxamide (PubChem CID 77093957) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-(methylamino)pyridine-4-carboxamide
PubChem CID77093957
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NC2CCN(Cc3ccco3)CC2)ccn1
InChIInChI=1S/C17H22N4O2/c1-18-16-11-13(4-7-19-16)17(22)20-14-5-8-21(9-6-14)12-15-3-2-10-23-15/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3,(H,18,19)(H,20,22)
InChIKeyRYIBEMJLMPMLEM-UHFFFAOYSA-N
XLogP2.11
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[2-(furan-2-ylmethylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109169338
formic acid;N-[1-(furan-2-ylmethyl)piperidin-4-yl]-4-(3-methyl-4-pyridinyl)benzamide
CID 154904499
1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride
CID 86253291
N-cyclopentyl-3-[2-(methylamino)-4-pyridinyl]benzamide
CID 123855665
N-cyclohexyl-2-[1-(furan-2-ylmethyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 42852151
2-bromo-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 103752018
3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-methyl-1-(quinolin-6-ylmethyl)urea
CID 122563843
2-(1,3-benzodioxol-5-ylmethylamino)-N-(1-benzylpiperidin-4-yl)pyridine-4-carboxamide
CID 117082360
[6-(cyclopropylamino)-3-pyridinyl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 56818322
2-N-cyclopentyl-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109080870
N-cyclopentyl-2-(ethylamino)pyridine-4-carboxamide
CID 62173243
N-cyclohexyl-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 2452442

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-(methylamino)pyridine-4-carboxamide (CID 77093957) is N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)NC2CCN(Cc3ccco3)CC2)ccn1.
What is the InChIKey of N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is RYIBEMJLMPMLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-18-16-11-13(4-7-19-16)17(22)20-14-5-8-21(9-6-14)12-15-3-2-10-23-15/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3,(H,18,19)(H,20,22).
What are the key properties of N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-(methylamino)pyridine-4-carboxamide?
N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 77093957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).