2,5-dimethyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1,3-oxazole-4-carboxamide

C15H18N4O3 — CID 126828106

IUPAC2,5-dimethyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NCCC(=O)Nc2ncccc2C)c(C)o1
InChIInChI=1S/C15H18N4O3/c1-9-5-4-7-16-14(9)19-12(20)6-8-17-15(21)13-10(2)22-11(3)18-13/h4-5,7H,6,8H2,1-3H3,(H,17,21)(H,16,19,20)
InChIKeyAZTHUAADIFXJDQ-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.75
Rot. Bonds5

About 2,5-dimethyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1,3-oxazole-4-carboxamide

2,5-dimethyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1,3-oxazole-4-carboxamide (PubChem CID 126828106) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2,5-dimethyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1,3-oxazole-4-carboxamide
PubChem CID126828106
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name2,5-dimethyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NCCC(=O)Nc2ncccc2C)c(C)o1
InChIInChI=1S/C15H18N4O3/c1-9-5-4-7-16-14(9)19-12(20)6-8-17-15(21)13-10(2)22-11(3)18-13/h4-5,7H,6,8H2,1-3H3,(H,17,21)(H,16,19,20)
InChIKeyAZTHUAADIFXJDQ-UHFFFAOYSA-N
XLogP1.75
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1H-pyrrole-3-carboxamide
CID 126828105
2-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
CID 18129652
2-methoxy-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
CID 24685535
N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide
CID 35032384
4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid
CID 810222
4-chloro-N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide
CID 18107028
5-[(3-methyl-2-pyridinyl)amino]-5-oxopentanoate
CID 5059391
5-bromo-N-(3-methyl-2-pyridinyl)pentanamide
CID 107907296
3-(2-fluorophenyl)-N-(3-methyl-2-pyridinyl)propanamide
CID 25342955
2-(3-acetamidopropanoylamino)pyridine-3-carboxylic acid
CID 63652524
2,5-dimethyl-N-(3-methyl-2-pyridinyl)furan-3-carboxamide
CID 25344560
3,4,7-trimethyl-N-(3-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 60578796

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1,3-oxazole-4-carboxamide (CID 126828106) is 2,5-dimethyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)NCCC(=O)Nc2ncccc2C)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1,3-oxazole-4-carboxamide?
The InChIKey is AZTHUAADIFXJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-9-5-4-7-16-14(9)19-12(20)6-8-17-15(21)13-10(2)22-11(3)18-13/h4-5,7H,6,8H2,1-3H3,(H,17,21)(H,16,19,20).
What are the key properties of 2,5-dimethyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1,3-oxazole-4-carboxamide?
2,5-dimethyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1,3-oxazole-4-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 126828106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).