2-[(6-cyano-2-pyridinyl)-ethylamino]-N-(3-methoxyphenyl)acetamide

C17H18N4O2 — CID 133391636

IUPAC2-[(6-cyano-2-pyridinyl)-ethylamino]-N-(3-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)c1cccc(C#N)n1
InChIInChI=1S/C17H18N4O2/c1-3-21(16-9-5-7-14(11-18)19-16)12-17(22)20-13-6-4-8-15(10-13)23-2/h4-10H,3,12H2,1-2H3,(H,20,22)
InChIKeyLQQAMCVZJFUWOY-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.43
Rot. Bonds6

About 2-[(6-cyano-2-pyridinyl)-ethylamino]-N-(3-methoxyphenyl)acetamide

2-[(6-cyano-2-pyridinyl)-ethylamino]-N-(3-methoxyphenyl)acetamide (PubChem CID 133391636) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[(6-cyano-2-pyridinyl)-ethylamino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-cyano-2-pyridinyl)-ethylamino]-N-(3-methoxyphenyl)acetamide
PubChem CID133391636
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-[(6-cyano-2-pyridinyl)-ethylamino]-N-(3-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)c1cccc(C#N)n1
InChIInChI=1S/C17H18N4O2/c1-3-21(16-9-5-7-14(11-18)19-16)12-17(22)20-13-6-4-8-15(10-13)23-2/h4-10H,3,12H2,1-2H3,(H,20,22)
InChIKeyLQQAMCVZJFUWOY-UHFFFAOYSA-N
XLogP2.43
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-ethylanilino)-N-(3-methoxyphenyl)acetamide
CID 51159812
2-[ethyl-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-N-(3-methoxyphenyl)acetamide
CID 133424969
methyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674332
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 43011197
2-[ethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 47121758
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 43011201
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9026006
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
2-(N-ethyl-2-nitroanilino)-N-(3-methoxyphenyl)acetamide
CID 7410350
N-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl-methylamino]acetamide
CID 8555397
ethyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674331
2-(3-ethylpentan-3-ylamino)-N-(3-methoxyphenyl)acetamide
CID 65038567

Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyano-2-pyridinyl)-ethylamino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[(6-cyano-2-pyridinyl)-ethylamino]-N-(3-methoxyphenyl)acetamide (CID 133391636) is 2-[(6-cyano-2-pyridinyl)-ethylamino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(6-cyano-2-pyridinyl)-ethylamino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(6-cyano-2-pyridinyl)-ethylamino]-N-(3-methoxyphenyl)acetamide is CCN(CC(=O)Nc1cccc(OC)c1)c1cccc(C#N)n1.
What is the InChIKey of 2-[(6-cyano-2-pyridinyl)-ethylamino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is LQQAMCVZJFUWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-3-21(16-9-5-7-14(11-18)19-16)12-17(22)20-13-6-4-8-15(10-13)23-2/h4-10H,3,12H2,1-2H3,(H,20,22).
What are the key properties of 2-[(6-cyano-2-pyridinyl)-ethylamino]-N-(3-methoxyphenyl)acetamide?
2-[(6-cyano-2-pyridinyl)-ethylamino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 310.36 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyano-2-pyridinyl)-ethylamino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 133391636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).