2-(1,2-benzoxazol-3-yl)-N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylacetamide

C19H19N5O2 — CID 146148586

IUPAC2-(1,2-benzoxazol-3-yl)-N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylacetamide
SMILESCN(CCN(C)c1ccc(C#N)nc1)C(=O)Cc1noc2ccccc12
InChIInChI=1S/C19H19N5O2/c1-23(15-8-7-14(12-20)21-13-15)9-10-24(2)19(25)11-17-16-5-3-4-6-18(16)26-22-17/h3-8,13H,9-11H2,1-2H3
InChIKeyYJWXSJOWBPXIAA-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.23
Rot. Bonds6

About 2-(1,2-benzoxazol-3-yl)-N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylacetamide

2-(1,2-benzoxazol-3-yl)-N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylacetamide (PubChem CID 146148586) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylacetamide
PubChem CID146148586
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylacetamide
SMILESCN(CCN(C)c1ccc(C#N)nc1)C(=O)Cc1noc2ccccc12
InChIInChI=1S/C19H19N5O2/c1-23(15-8-7-14(12-20)21-13-15)9-10-24(2)19(25)11-17-16-5-3-4-6-18(16)26-22-17/h3-8,13H,9-11H2,1-2H3
InChIKeyYJWXSJOWBPXIAA-UHFFFAOYSA-N
XLogP2.23
TPSA86.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(1,2-benzoxazol-3-yl)-N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylacetamide with MolForge

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Related Compounds

3-[[2-(1,2-benzoxazol-3-yl)acetyl]-methylamino]propanoic acid
CID 60988386
2-(1,2-benzoxazol-3-yl)-N-benzyl-N-methylacetamide
CID 22519666
5-[methyl(3,3,3-trifluoropropyl)amino]pyridine-2-carbonitrile
CID 115487744
2-(1,2-benzoxazol-3-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide
CID 47042188
2-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43572973
2-(1,2-benzoxazol-3-yl)-N,N-bis(2-methoxyethyl)acetamide
CID 86907964
2-(1,2-benzoxazol-3-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 113337577
2-(1,2-benzoxazol-3-yl)-N-(2-chloro-3-methoxypropyl)-N-methylacetamide
CID 63398289
N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide
CID 119585056
2-(1,2-benzoxazol-3-yl)-N-benzyl-N-(2-hydroxyethyl)acetamide
CID 78855126
2-(1,2-benzoxazol-3-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 61039197
2-(1,2-benzoxazol-3-yl)-N-butyl-N-(2-chloroethyl)acetamide
CID 63391205

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylacetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylacetamide (CID 146148586) is 2-(1,2-benzoxazol-3-yl)-N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylacetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylacetamide is CN(CCN(C)c1ccc(C#N)nc1)C(=O)Cc1noc2ccccc12.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylacetamide?
The InChIKey is YJWXSJOWBPXIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-23(15-8-7-14(12-20)21-13-15)9-10-24(2)19(25)11-17-16-5-3-4-6-18(16)26-22-17/h3-8,13H,9-11H2,1-2H3.
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylacetamide?
2-(1,2-benzoxazol-3-yl)-N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylacetamide has a molecular weight of 349.39 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylacetamide is sourced from PubChem (CID 146148586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).