6-methyl-N-(2-methyl-3-nitrophenyl)-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide

C20H21N5O4 — CID 46280377

IUPAC6-methyl-N-(2-methyl-3-nitrophenyl)-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncnc(N3CCCCC3)c2c1C(=O)Nc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C20H21N5O4/c1-12-14(7-6-8-15(12)25(27)28)23-19(26)16-13(2)29-20-17(16)18(21-11-22-20)24-9-4-3-5-10-24/h6-8,11H,3-5,9-10H2,1-2H3,(H,23,26)
InChIKeyASXHDHDFUJRSIU-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.99
Rot. Bonds4

About 6-methyl-N-(2-methyl-3-nitrophenyl)-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide

6-methyl-N-(2-methyl-3-nitrophenyl)-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 46280377) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is 6-methyl-N-(2-methyl-3-nitrophenyl)-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(2-methyl-3-nitrophenyl)-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID46280377
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC Name6-methyl-N-(2-methyl-3-nitrophenyl)-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncnc(N3CCCCC3)c2c1C(=O)Nc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C20H21N5O4/c1-12-14(7-6-8-15(12)25(27)28)23-19(26)16-13(2)29-20-17(16)18(21-11-22-20)24-9-4-3-5-10-24/h6-8,11H,3-5,9-10H2,1-2H3,(H,23,26)
InChIKeyASXHDHDFUJRSIU-UHFFFAOYSA-N
XLogP3.99
TPSA114.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.99
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

6-(azepan-1-yl)-N-(2-methyl-3-nitrophenyl)pyridine-3-carboxamide
CID 36995922
N-(2-methoxyphenyl)-6-methyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide
CID 20925246
ethyl 4-[(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carbonyl)amino]benzoate
CID 20925199
azepan-1-yl-(6-methyl-4-piperidin-1-ylfuro[2,3-d]pyrimidin-5-yl)methanone
CID 20925129
N-(2-methyl-3-nitrophenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 26796727
2-(2-methyl-3-nitrophenyl)-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 86815275
4-(azepan-1-ylmethyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 43924817
4-(azepan-1-yl)-N-(2-ethylphenyl)-6-methylthieno[2,3-d]pyrimidine-5-carboxamide
CID 50847391
5-methyl-N-(2-methyl-3-nitrophenyl)-1,2-oxazole-3-carboxamide
CID 17255520
2,2-dimethyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 4927442
N-(2-methyl-3-nitrophenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 26737790
(2-methyl-3-nitrophenyl)urea
CID 22416531

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-methyl-3-nitrophenyl)-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 6-methyl-N-(2-methyl-3-nitrophenyl)-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide (CID 46280377) is 6-methyl-N-(2-methyl-3-nitrophenyl)-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 6-methyl-N-(2-methyl-3-nitrophenyl)-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 6-methyl-N-(2-methyl-3-nitrophenyl)-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide is Cc1oc2ncnc(N3CCCCC3)c2c1C(=O)Nc1cccc([N+](=O)[O-])c1C.
What is the InChIKey of 6-methyl-N-(2-methyl-3-nitrophenyl)-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is ASXHDHDFUJRSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-12-14(7-6-8-15(12)25(27)28)23-19(26)16-13(2)29-20-17(16)18(21-11-22-20)24-9-4-3-5-10-24/h6-8,11H,3-5,9-10H2,1-2H3,(H,23,26).
What are the key properties of 6-methyl-N-(2-methyl-3-nitrophenyl)-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide?
6-methyl-N-(2-methyl-3-nitrophenyl)-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-methyl-3-nitrophenyl)-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 46280377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).