N-[4-(diethylamino)-4-oxobutyl]-4-phenylpyrimidine-5-carboxamide

C19H24N4O2 — CID 75401237

IUPACN-[4-(diethylamino)-4-oxobutyl]-4-phenylpyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)CCCNC(=O)c1cncnc1-c1ccccc1
InChIInChI=1S/C19H24N4O2/c1-3-23(4-2)17(24)11-8-12-21-19(25)16-13-20-14-22-18(16)15-9-6-5-7-10-15/h5-7,9-10,13-14H,3-4,8,11-12H2,1-2H3,(H,21,25)
InChIKeyLZMKHOHBDASXCC-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.52
Rot. Bonds8

About N-[4-(diethylamino)-4-oxobutyl]-4-phenylpyrimidine-5-carboxamide

N-[4-(diethylamino)-4-oxobutyl]-4-phenylpyrimidine-5-carboxamide (PubChem CID 75401237) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[4-(diethylamino)-4-oxobutyl]-4-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-4-oxobutyl]-4-phenylpyrimidine-5-carboxamide
PubChem CID75401237
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[4-(diethylamino)-4-oxobutyl]-4-phenylpyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)CCCNC(=O)c1cncnc1-c1ccccc1
InChIInChI=1S/C19H24N4O2/c1-3-23(4-2)17(24)11-8-12-21-19(25)16-13-20-14-22-18(16)15-9-6-5-7-10-15/h5-7,9-10,13-14H,3-4,8,11-12H2,1-2H3,(H,21,25)
InChIKeyLZMKHOHBDASXCC-UHFFFAOYSA-N
XLogP2.52
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[3-(diethylamino)-3-oxopropyl]amino]pyrimidine-5-carboxylic acid
CID 114214618
4-phenylpyrimidine-5-carboxamide
CID 160993699
N,N-diethyl-4-(3-pyrimidin-4-ylprop-2-enoylamino)butanamide
CID 91944028
N-(4-fluorophenyl)-4-phenylpyrimidine-5-carboxamide
CID 110858718
2-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-3-carboxylic acid
CID 63616068
N-ethyl-4-phenyl-N-[1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]pyrimidine-5-carboxamide
CID 146588644
N-[4-(diethylamino)-4-oxobutyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60513563
N,N-diethyl-4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]butanamide
CID 60513365
N-[3-(diethylamino)-3-oxopropyl]-2-(ethylamino)benzamide
CID 63107836
N-ethyl-2,4-diphenylpyrimidine-5-carboxamide
CID 1470755
N-[4-(diethylamino)-4-oxobutyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 51090160
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-phenylpyrimidine-5-carboxamide
CID 142667584

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-4-oxobutyl]-4-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-[4-(diethylamino)-4-oxobutyl]-4-phenylpyrimidine-5-carboxamide (CID 75401237) is N-[4-(diethylamino)-4-oxobutyl]-4-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)-4-oxobutyl]-4-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-[4-(diethylamino)-4-oxobutyl]-4-phenylpyrimidine-5-carboxamide is CCN(CC)C(=O)CCCNC(=O)c1cncnc1-c1ccccc1.
What is the InChIKey of N-[4-(diethylamino)-4-oxobutyl]-4-phenylpyrimidine-5-carboxamide?
The InChIKey is LZMKHOHBDASXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-3-23(4-2)17(24)11-8-12-21-19(25)16-13-20-14-22-18(16)15-9-6-5-7-10-15/h5-7,9-10,13-14H,3-4,8,11-12H2,1-2H3,(H,21,25).
What are the key properties of N-[4-(diethylamino)-4-oxobutyl]-4-phenylpyrimidine-5-carboxamide?
N-[4-(diethylamino)-4-oxobutyl]-4-phenylpyrimidine-5-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-4-oxobutyl]-4-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 75401237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).