N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-4-nitrobenzamide

C19H24N6O3 — CID 121075047

IUPACN-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-4-nitrobenzamide
SMILESCc1cc(N2CCCCC2)nc(NCCNC(=O)c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C19H24N6O3/c1-14-13-17(24-11-3-2-4-12-24)23-19(22-14)21-10-9-20-18(26)15-5-7-16(8-6-15)25(27)28/h5-8,13H,2-4,9-12H2,1H3,(H,20,26)(H,21,22,23)
InChIKeyREOWGNHKCYFGIZ-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.53
Rot. Bonds7

About N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-4-nitrobenzamide

N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-4-nitrobenzamide (PubChem CID 121075047) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-4-nitrobenzamide
PubChem CID121075047
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC NameN-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-4-nitrobenzamide
SMILESCc1cc(N2CCCCC2)nc(NCCNC(=O)c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C19H24N6O3/c1-14-13-17(24-11-3-2-4-12-24)23-19(22-14)21-10-9-20-18(26)15-5-7-16(8-6-15)25(27)28/h5-8,13H,2-4,9-12H2,1H3,(H,20,26)(H,21,22,23)
InChIKeyREOWGNHKCYFGIZ-UHFFFAOYSA-N
XLogP2.53
TPSA113.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 122295005
N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 56922333
3,4-difluoro-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 122294334
N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]-5-nitrofuran-2-carboxamide
CID 122294849
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-3-nitrobenzamide
CID 121075284
3-fluoro-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 121075153
5-fluoro-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]pyridine-3-carboxamide
CID 122294498
N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-1,2-oxazole-5-carboxamide
CID 122294344
2-ethyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]butanamide
CID 121075133
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 121075218
2,4-dichloro-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 70703179
2,4-dimethyl-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 56700108

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-4-nitrobenzamide?
The IUPAC name of N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-4-nitrobenzamide (CID 121075047) is N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-4-nitrobenzamide.
What is the SMILES notation for N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-4-nitrobenzamide?
The canonical SMILES for N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-4-nitrobenzamide is Cc1cc(N2CCCCC2)nc(NCCNC(=O)c2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-4-nitrobenzamide?
The InChIKey is REOWGNHKCYFGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-14-13-17(24-11-3-2-4-12-24)23-19(22-14)21-10-9-20-18(26)15-5-7-16(8-6-15)25(27)28/h5-8,13H,2-4,9-12H2,1H3,(H,20,26)(H,21,22,23).
What are the key properties of N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-4-nitrobenzamide?
N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-4-nitrobenzamide has a molecular weight of 384.44 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-4-nitrobenzamide is sourced from PubChem (CID 121075047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).