3-cyclopentyl-2-(4-nitrophenyl)-N-pyrimidin-4-ylpropanamide

C18H20N4O3 — CID 22315324

IUPAC3-cyclopentyl-2-(4-nitrophenyl)-N-pyrimidin-4-ylpropanamide
SMILESO=C(Nc1ccncn1)C(CC1CCCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H20N4O3/c23-18(21-17-9-10-19-12-20-17)16(11-13-3-1-2-4-13)14-5-7-15(8-6-14)22(24)25/h5-10,12-13,16H,1-4,11H2,(H,19,20,21,23)
InChIKeyDMGBVSQNGCZGCR-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.69
Rot. Bonds6

About 3-cyclopentyl-2-(4-nitrophenyl)-N-pyrimidin-4-ylpropanamide

3-cyclopentyl-2-(4-nitrophenyl)-N-pyrimidin-4-ylpropanamide (PubChem CID 22315324) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-cyclopentyl-2-(4-nitrophenyl)-N-pyrimidin-4-ylpropanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-(4-nitrophenyl)-N-pyrimidin-4-ylpropanamide
PubChem CID22315324
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name3-cyclopentyl-2-(4-nitrophenyl)-N-pyrimidin-4-ylpropanamide
SMILESO=C(Nc1ccncn1)C(CC1CCCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H20N4O3/c23-18(21-17-9-10-19-12-20-17)16(11-13-3-1-2-4-13)14-5-7-15(8-6-14)22(24)25/h5-10,12-13,16H,1-4,11H2,(H,19,20,21,23)
InChIKeyDMGBVSQNGCZGCR-UHFFFAOYSA-N
XLogP3.69
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-pyrimidin-4-ylpropanamide
CID 22315215
ethyl 2-[2-[[3-cyclopentyl-2-(4-nitrophenyl)propanoyl]amino]-1,3-thiazol-4-yl]-2-oxoacetate
CID 54387059
3-cyclopentyl-2-pyridin-4-yl-N-(1,3-thiazol-2-yl)propanamide
CID 10171778
(2R)-N-(5-bromo-2-pyridinyl)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanamide
CID 67490264
3-cyclohexyl-N-(5-nitro-2-pyridinyl)propanamide
CID 3850137
6-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]pyridine-3-carboxylic acid
CID 10274300
N-(5-nitro-2-pyridinyl)cyclohexanecarboxamide
CID 2931199
methyl 6-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]pyridine-3-carboxylate
CID 67483378
methyl 3-cyclopropyl-2-(5-nitro-2-pyridinyl)propanoate
CID 67308359
2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide
CID 23394564
[4-[3-cyclopentyl-1-[(5-methoxycarbonyl-2-pyridinyl)amino]-1-oxopropan-2-yl]phenyl]methanesulfinic acid
CID 174382331
1-(2-chloro-3-cyclopentylpropyl)-4-nitrobenzene
CID 55224063

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(4-nitrophenyl)-N-pyrimidin-4-ylpropanamide?
The IUPAC name of 3-cyclopentyl-2-(4-nitrophenyl)-N-pyrimidin-4-ylpropanamide (CID 22315324) is 3-cyclopentyl-2-(4-nitrophenyl)-N-pyrimidin-4-ylpropanamide.
What is the SMILES notation for 3-cyclopentyl-2-(4-nitrophenyl)-N-pyrimidin-4-ylpropanamide?
The canonical SMILES for 3-cyclopentyl-2-(4-nitrophenyl)-N-pyrimidin-4-ylpropanamide is O=C(Nc1ccncn1)C(CC1CCCC1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-cyclopentyl-2-(4-nitrophenyl)-N-pyrimidin-4-ylpropanamide?
The InChIKey is DMGBVSQNGCZGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c23-18(21-17-9-10-19-12-20-17)16(11-13-3-1-2-4-13)14-5-7-15(8-6-14)22(24)25/h5-10,12-13,16H,1-4,11H2,(H,19,20,21,23).
What are the key properties of 3-cyclopentyl-2-(4-nitrophenyl)-N-pyrimidin-4-ylpropanamide?
3-cyclopentyl-2-(4-nitrophenyl)-N-pyrimidin-4-ylpropanamide has a molecular weight of 340.38 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(4-nitrophenyl)-N-pyrimidin-4-ylpropanamide is sourced from PubChem (CID 22315324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).