N-[[1-(2-aminopyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide

C15H19N5O2 — CID 131910940

IUPACN-[[1-(2-aminopyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide
SMILESNc1nccc(N2CCCC(CNC(=O)c3ccco3)C2)n1
InChIInChI=1S/C15H19N5O2/c16-15-17-6-5-13(19-15)20-7-1-3-11(10-20)9-18-14(21)12-4-2-8-22-12/h2,4-6,8,11H,1,3,7,9-10H2,(H,18,21)(H2,16,17,19)
InChIKeyXMZXOWCFMPJRGP-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.30
Rot. Bonds4

About N-[[1-(2-aminopyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide

N-[[1-(2-aminopyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide (PubChem CID 131910940) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[[1-(2-aminopyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-aminopyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide
PubChem CID131910940
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-[[1-(2-aminopyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide
SMILESNc1nccc(N2CCCC(CNC(=O)c3ccco3)C2)n1
InChIInChI=1S/C15H19N5O2/c16-15-17-6-5-13(19-15)20-7-1-3-11(10-20)9-18-14(21)12-4-2-8-22-12/h2,4-6,8,11H,1,3,7,9-10H2,(H,18,21)(H2,16,17,19)
InChIKeyXMZXOWCFMPJRGP-UHFFFAOYSA-N
XLogP1.30
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 45199299
N-[[(3S)-1-(5-chloro-2-cyanophenyl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 124726563
N-[[1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 45239979
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 110640542
N-[[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 25450902
N-[[(3S)-1-[[2-(2-phenylethynyl)phenyl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 26329221
N-[[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 166256117
N-[[(3S)-1-[2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 97283148
N-[[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide
CID 45244496
N-[[(3R)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 97282973
3-methyl-N-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]furan-2-carboxamide
CID 131952335
N-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 45222892

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminopyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[1-(2-aminopyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide (CID 131910940) is N-[[1-(2-aminopyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[1-(2-aminopyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[1-(2-aminopyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide is Nc1nccc(N2CCCC(CNC(=O)c3ccco3)C2)n1.
What is the InChIKey of N-[[1-(2-aminopyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide?
The InChIKey is XMZXOWCFMPJRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c16-15-17-6-5-13(19-15)20-7-1-3-11(10-20)9-18-14(21)12-4-2-8-22-12/h2,4-6,8,11H,1,3,7,9-10H2,(H,18,21)(H2,16,17,19).
What are the key properties of N-[[1-(2-aminopyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide?
N-[[1-(2-aminopyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminopyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 131910940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).