N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(methylamino)pyridine-4-carboxamide

C13H16N4O2 — CID 105070606

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(methylamino)pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)NCc1c(C)noc1C
InChIInChI=1S/C13H16N4O2/c1-8-11(9(2)19-17-8)6-16-13(18)10-4-5-15-7-12(10)14-3/h4-5,7,14H,6H2,1-3H3,(H,16,18)
InChIKeyGIPYEHQEBCEDGO-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.66
Rot. Bonds4

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(methylamino)pyridine-4-carboxamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(methylamino)pyridine-4-carboxamide (PubChem CID 105070606) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(methylamino)pyridine-4-carboxamide
PubChem CID105070606
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(methylamino)pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)NCc1c(C)noc1C
InChIInChI=1S/C13H16N4O2/c1-8-11(9(2)19-17-8)6-16-13(18)10-4-5-15-7-12(10)14-3/h4-5,7,14H,6H2,1-3H3,(H,16,18)
InChIKeyGIPYEHQEBCEDGO-UHFFFAOYSA-N
XLogP1.66
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-(methylamino)pyridine-4-carboxamide
CID 105068179
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroxybenzamide
CID 114344508
2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-3-carboxamide
CID 106686991
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide
CID 103865338
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4-trifluorobenzamide
CID 110730995
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxybenzamide
CID 79241601
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpyridin-3-amine
CID 63329724
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methylamino)pyridine-3-sulfonamide
CID 79238403
3-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]pyridine-4-carboxamide
CID 105069426
2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-sulfanylbenzamide
CID 107032011
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 47862151
5-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylbenzamide
CID 102705730

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(methylamino)pyridine-4-carboxamide (CID 105070606) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(methylamino)pyridine-4-carboxamide is CNc1cnccc1C(=O)NCc1c(C)noc1C.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(methylamino)pyridine-4-carboxamide?
The InChIKey is GIPYEHQEBCEDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8-11(9(2)19-17-8)6-16-13(18)10-4-5-15-7-12(10)14-3/h4-5,7,14H,6H2,1-3H3,(H,16,18).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(methylamino)pyridine-4-carboxamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(methylamino)pyridine-4-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105070606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).