N-(5-methyl-2-pyridinyl)-2-(oxan-4-ylamino)acetamide

C13H19N3O2 — CID 135232757

IUPACN-(5-methyl-2-pyridinyl)-2-(oxan-4-ylamino)acetamide
SMILESCc1ccc(NC(=O)CNC2CCOCC2)nc1
InChIInChI=1S/C13H19N3O2/c1-10-2-3-12(15-8-10)16-13(17)9-14-11-4-6-18-7-5-11/h2-3,8,11,14H,4-7,9H2,1H3,(H,15,16,17)
InChIKeyPGYFIOVKSRDGKS-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.10
Rot. Bonds4

About N-(5-methyl-2-pyridinyl)-2-(oxan-4-ylamino)acetamide

N-(5-methyl-2-pyridinyl)-2-(oxan-4-ylamino)acetamide (PubChem CID 135232757) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-2-(oxan-4-ylamino)acetamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-2-(oxan-4-ylamino)acetamide
PubChem CID135232757
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(5-methyl-2-pyridinyl)-2-(oxan-4-ylamino)acetamide
SMILESCc1ccc(NC(=O)CNC2CCOCC2)nc1
InChIInChI=1S/C13H19N3O2/c1-10-2-3-12(15-8-10)16-13(17)9-14-11-4-6-18-7-5-11/h2-3,8,11,14H,4-7,9H2,1H3,(H,15,16,17)
InChIKeyPGYFIOVKSRDGKS-UHFFFAOYSA-N
XLogP1.10
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-N-(5-methyl-2-pyridinyl)acetamide
CID 60842500
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N-(5-methyl-2-pyridinyl)-2-sulfanylacetamide
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N-(5-methyl-2-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 60841992
2-(cyclopropylamino)-N-(4-methyl-2-pyridinyl)acetamide
CID 60842851
N-(5-methyl-2-pyridinyl)-2-nitroacetamide
CID 12520553
2-(azetidin-3-yl)-N-(5-methyl-2-pyridinyl)acetamide
CID 64617953
N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]butanamide
CID 47293166
N-(5-bromo-2-pyridinyl)-2-(oxan-4-yl)acetamide
CID 115274048
(2R)-2-methyl-N-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropanamide
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CID 128999567

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-2-(oxan-4-ylamino)acetamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-2-(oxan-4-ylamino)acetamide (CID 135232757) is N-(5-methyl-2-pyridinyl)-2-(oxan-4-ylamino)acetamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-2-(oxan-4-ylamino)acetamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-2-(oxan-4-ylamino)acetamide is Cc1ccc(NC(=O)CNC2CCOCC2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-2-(oxan-4-ylamino)acetamide?
The InChIKey is PGYFIOVKSRDGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-2-3-12(15-8-10)16-13(17)9-14-11-4-6-18-7-5-11/h2-3,8,11,14H,4-7,9H2,1H3,(H,15,16,17).
What are the key properties of N-(5-methyl-2-pyridinyl)-2-(oxan-4-ylamino)acetamide?
N-(5-methyl-2-pyridinyl)-2-(oxan-4-ylamino)acetamide has a molecular weight of 249.31 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-2-(oxan-4-ylamino)acetamide is sourced from PubChem (CID 135232757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).