2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C16H24N4O3 — CID 95304590

IUPAC2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1ccnc(NC(=O)CN(C)CC(=O)NC[C@@H]2CCCO2)c1
InChIInChI=1S/C16H24N4O3/c1-12-5-6-17-14(8-12)19-16(22)11-20(2)10-15(21)18-9-13-4-3-7-23-13/h5-6,8,13H,3-4,7,9-11H2,1-2H3,(H,18,21)(H,17,19,22)/t13-/m0/s1
InChIKeyGHQUFEJHHPKYAE-ZDUSSCGKSA-N
MW320.39 g/mol
LogP0.56
Rot. Bonds7

About 2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 95304590) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID95304590
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1ccnc(NC(=O)CN(C)CC(=O)NC[C@@H]2CCCO2)c1
InChIInChI=1S/C16H24N4O3/c1-12-5-6-17-14(8-12)19-16(22)11-20(2)10-15(21)18-9-13-4-3-7-23-13/h5-6,8,13H,3-4,7,9-11H2,1-2H3,(H,18,21)(H,17,19,22)/t13-/m0/s1
InChIKeyGHQUFEJHHPKYAE-ZDUSSCGKSA-N
XLogP0.56
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide with MolForge

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Related Compounds

2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 78818567
4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 110849466
2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 133255030
2-(N-acetyl-2,4-dimethylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113167863
4-methyl-2-[(4-methyl-2-pyridinyl)amino]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 53200041
2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 56922703
3-(4-methyl-2-pyridinyl)-1-(oxan-2-ylmethyl)-1-propylurea
CID 86799962
2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 60507252
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 78793510
2-[benzyl(methyl)amino]-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 94216554
N,4-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 155944690
2-(3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1144931

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 95304590) is 2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is Cc1ccnc(NC(=O)CN(C)CC(=O)NC[C@@H]2CCCO2)c1.
What is the InChIKey of 2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is GHQUFEJHHPKYAE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-12-5-6-17-14(8-12)19-16(22)11-20(2)10-15(21)18-9-13-4-3-7-23-13/h5-6,8,13H,3-4,7,9-11H2,1-2H3,(H,18,21)(H,17,19,22)/t13-/m0/s1.
What are the key properties of 2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 320.39 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 95304590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).