N-[4-phenyl-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide

C15H17N5O2 — CID 21177324

IUPACN-[4-phenyl-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide
SMILESCCC(=O)Nc1nc(NC(=O)CC)nc(-c2ccccc2)n1
InChIInChI=1S/C15H17N5O2/c1-3-11(21)16-14-18-13(10-8-6-5-7-9-10)19-15(20-14)17-12(22)4-2/h5-9H,3-4H2,1-2H3,(H2,16,17,18,19,20,21,22)
InChIKeyBYDUKFHFFHLWRU-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.24
Rot. Bonds5

About N-[4-phenyl-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide

N-[4-phenyl-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide (PubChem CID 21177324) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[4-phenyl-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-phenyl-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide
PubChem CID21177324
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC NameN-[4-phenyl-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide
SMILESCCC(=O)Nc1nc(NC(=O)CC)nc(-c2ccccc2)n1
InChIInChI=1S/C15H17N5O2/c1-3-11(21)16-14-18-13(10-8-6-5-7-9-10)19-15(20-14)17-12(22)4-2/h5-9H,3-4H2,1-2H3,(H2,16,17,18,19,20,21,22)
InChIKeyBYDUKFHFFHLWRU-UHFFFAOYSA-N
XLogP2.24
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,6-diphenylpyrimidin-2-yl)propanamide
CID 11278089
N-(2-phenylpyrimidin-5-yl)propanamide
CID 53014772
(4-phenyl-6-tridecyl-1,3,5-triazin-2-yl)urea
CID 4643161
N-[4-[(3,4-dimethylbenzoyl)amino]-6-phenyl-1,3,5-triazin-2-yl]-3,4-dimethylbenzamide
CID 155228953
N-[4-(propanoylamino)-1,3,5-triazin-2-yl]propanamide
CID 71332084
N-[6-(propanoylamino)-2-pyridinyl]propanamide
CID 835275
tert-butyl N-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)carbamate
CID 71605067
ethane;methane;N-phenylpropanamide
CID 159778408
1-cyclohexyl-3-[4-(cyclohexylcarbamoylamino)-6-phenyl-1,3,5-triazin-2-yl]urea
CID 27162469
N-(4-pyrimidin-2-ylphenyl)propanamide
CID 137348877
2-N,4-N-bis(ethoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine
CID 5070075
N-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 164603929

Frequently Asked Questions

What is the IUPAC name of N-[4-phenyl-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide?
The IUPAC name of N-[4-phenyl-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide (CID 21177324) is N-[4-phenyl-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide.
What is the SMILES notation for N-[4-phenyl-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide?
The canonical SMILES for N-[4-phenyl-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide is CCC(=O)Nc1nc(NC(=O)CC)nc(-c2ccccc2)n1.
What is the InChIKey of N-[4-phenyl-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide?
The InChIKey is BYDUKFHFFHLWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-3-11(21)16-14-18-13(10-8-6-5-7-9-10)19-15(20-14)17-12(22)4-2/h5-9H,3-4H2,1-2H3,(H2,16,17,18,19,20,21,22).
What are the key properties of N-[4-phenyl-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide?
N-[4-phenyl-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide has a molecular weight of 299.33 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-phenyl-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide is sourced from PubChem (CID 21177324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).