N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-5-nitrofuran-2-carboxamide

C16H19N5O4 — CID 122318177

IUPACN-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-5-nitrofuran-2-carboxamide
SMILESCc1cc(N2CCCCC2)nc(CNC(=O)c2ccc([N+](=O)[O-])o2)n1
InChIInChI=1S/C16H19N5O4/c1-11-9-14(20-7-3-2-4-8-20)19-13(18-11)10-17-16(22)12-5-6-15(25-12)21(23)24/h5-6,9H,2-4,7-8,10H2,1H3,(H,17,22)
InChIKeyWXYCGAHWMAWQAD-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.21
Rot. Bonds5

About N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-5-nitrofuran-2-carboxamide

N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-5-nitrofuran-2-carboxamide (PubChem CID 122318177) has the molecular formula C16H19N5O4 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-5-nitrofuran-2-carboxamide
PubChem CID122318177
Molecular FormulaC16H19N5O4
Molecular Weight345.36 g/mol
Exact Mass345.14
IUPAC NameN-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-5-nitrofuran-2-carboxamide
SMILESCc1cc(N2CCCCC2)nc(CNC(=O)c2ccc([N+](=O)[O-])o2)n1
InChIInChI=1S/C16H19N5O4/c1-11-9-14(20-7-3-2-4-8-20)19-13(18-11)10-17-16(22)12-5-6-15(25-12)21(23)24/h5-6,9H,2-4,7-8,10H2,1H3,(H,17,22)
InChIKeyWXYCGAHWMAWQAD-UHFFFAOYSA-N
XLogP2.21
TPSA114.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]-5-nitrofuran-2-carboxamide
CID 122294849
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-3,5-dinitrobenzamide
CID 122318432
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide
CID 121137147
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122318097
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]naphthalene-2-carboxamide
CID 122318067
4-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318023
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 122318073
4-cyano-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318242
2,3,4-trifluoro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318276
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 122317839
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 71807389
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 122317914

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-5-nitrofuran-2-carboxamide (CID 122318177) is N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-5-nitrofuran-2-carboxamide is Cc1cc(N2CCCCC2)nc(CNC(=O)c2ccc([N+](=O)[O-])o2)n1.
What is the InChIKey of N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-5-nitrofuran-2-carboxamide?
The InChIKey is WXYCGAHWMAWQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4/c1-11-9-14(20-7-3-2-4-8-20)19-13(18-11)10-17-16(22)12-5-6-15(25-12)21(23)24/h5-6,9H,2-4,7-8,10H2,1H3,(H,17,22).
What are the key properties of N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-5-nitrofuran-2-carboxamide?
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-5-nitrofuran-2-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 122318177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).