2-[1-[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]piperidin-3-yl]acetamide

C19H23N5O3 — CID 133355905

IUPAC2-[1-[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]piperidin-3-yl]acetamide
SMILESCCc1cc(N2CCCC(CC(N)=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C19H23N5O3/c1-2-15-11-18(23-9-3-4-13(12-23)10-17(20)25)22-19(21-15)14-5-7-16(8-6-14)24(26)27/h5-8,11,13H,2-4,9-10,12H2,1H3,(H2,20,25)
InChIKeyAONIISIKGRSFHC-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.71
Rot. Bonds6

About 2-[1-[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]piperidin-3-yl]acetamide

2-[1-[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]piperidin-3-yl]acetamide (PubChem CID 133355905) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-[1-[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]piperidin-3-yl]acetamide
PubChem CID133355905
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name2-[1-[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]piperidin-3-yl]acetamide
SMILESCCc1cc(N2CCCC(CC(N)=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C19H23N5O3/c1-2-15-11-18(23-9-3-4-13(12-23)10-17(20)25)22-19(21-15)14-5-7-16(8-6-14)24(26)27/h5-8,11,13H,2-4,9-10,12H2,1H3,(H2,20,25)
InChIKeyAONIISIKGRSFHC-UHFFFAOYSA-N
XLogP2.71
TPSA115.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-ethyl-2-(4-nitrophenyl)-6-[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine
CID 52519796
cyclopropyl-[4-[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone
CID 133499058
trans-(1R,2R)-2-[4-[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]piperazin-1-yl]cyclopentan-1-ol
CID 97185430
1-[4-[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 133285317
3-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]propanamide
CID 133294209
[(3S)-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 95337185
1-(6-ethyl-2-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 71564056
4-ethyl-2-(4-nitrophenyl)-6-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidine
CID 133279796
6-ethyl-N-methyl-2-(4-nitrophenyl)-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine
CID 133281141
N-(cyclobutylmethyl)-6-ethyl-2-(4-nitrophenyl)pyrimidin-4-amine
CID 60567693
4-[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]-2-thiophen-2-ylmorpholine
CID 133363720
4-ethyl-2-pyridin-4-yl-6-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine
CID 133294152

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]piperidin-3-yl]acetamide?
The IUPAC name of 2-[1-[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]piperidin-3-yl]acetamide (CID 133355905) is 2-[1-[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[1-[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]piperidin-3-yl]acetamide?
The canonical SMILES for 2-[1-[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]piperidin-3-yl]acetamide is CCc1cc(N2CCCC(CC(N)=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of 2-[1-[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]piperidin-3-yl]acetamide?
The InChIKey is AONIISIKGRSFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-2-15-11-18(23-9-3-4-13(12-23)10-17(20)25)22-19(21-15)14-5-7-16(8-6-14)24(26)27/h5-8,11,13H,2-4,9-10,12H2,1H3,(H2,20,25).
What are the key properties of 2-[1-[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]piperidin-3-yl]acetamide?
2-[1-[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]piperidin-3-yl]acetamide has a molecular weight of 369.43 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]piperidin-3-yl]acetamide is sourced from PubChem (CID 133355905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).