3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide

C17H23N5O2 — CID 90647550

IUPAC3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide
SMILESCc1cnccc1NCCNC(=O)CCc1c(C)nc(=O)[nH]c1C
InChIInChI=1S/C17H23N5O2/c1-11-10-18-7-6-15(11)19-8-9-20-16(23)5-4-14-12(2)21-17(24)22-13(14)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,18,19)(H,20,23)(H,21,22,24)
InChIKeyOGEYPPIQNOKGMK-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.25
Rot. Bonds7

About 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide

3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide (PubChem CID 90647550) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide
PubChem CID90647550
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide
SMILESCc1cnccc1NCCNC(=O)CCc1c(C)nc(=O)[nH]c1C
InChIInChI=1S/C17H23N5O2/c1-11-10-18-7-6-15(11)19-8-9-20-16(23)5-4-14-12(2)21-17(24)22-13(14)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,18,19)(H,20,23)(H,21,22,24)
InChIKeyOGEYPPIQNOKGMK-UHFFFAOYSA-N
XLogP1.25
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,4-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pentanamide
CID 119063054
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
CID 131933269
N-[2-(4-chlorophenyl)ethyl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide
CID 71914392
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenyl)propyl]propanamide
CID 131891594
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide
CID 131939568
3-(1,3-benzodioxol-5-yl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide
CID 131952515
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-indazol-1-ylpropyl)propanamide
CID 77092983
2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 90647553
2,4-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1,3-oxazole-5-carboxamide
CID 131920957
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)propanamide
CID 118777156
2-(1,3-dihydroisoindol-2-yl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
CID 131922886
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide
CID 136607679

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide (CID 90647550) is 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide is Cc1cnccc1NCCNC(=O)CCc1c(C)nc(=O)[nH]c1C.
What is the InChIKey of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide?
The InChIKey is OGEYPPIQNOKGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11-10-18-7-6-15(11)19-8-9-20-16(23)5-4-14-12(2)21-17(24)22-13(14)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,18,19)(H,20,23)(H,21,22,24).
What are the key properties of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide?
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide has a molecular weight of 329.40 g/mol, XLogP of 1.25, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide is sourced from PubChem (CID 90647550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).