2-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide

C20H27N5O2 — CID 55629349

IUPAC2-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)NCc1ccc(N(C)C)nc1
InChIInChI=1S/C20H27N5O2/c1-14-7-6-8-15(2)19(14)23-18(26)13-25(5)20(27)22-12-16-9-10-17(21-11-16)24(3)4/h6-11H,12-13H2,1-5H3,(H,22,27)(H,23,26)
InChIKeyGRTLETKORRARAA-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.54
Rot. Bonds6

About 2-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide

2-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 55629349) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
PubChem CID55629349
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name2-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)NCc1ccc(N(C)C)nc1
InChIInChI=1S/C20H27N5O2/c1-14-7-6-8-15(2)19(14)23-18(26)13-25(5)20(27)22-12-16-9-10-17(21-11-16)24(3)4/h6-11H,12-13H2,1-5H3,(H,22,27)(H,23,26)
InChIKeyGRTLETKORRARAA-UHFFFAOYSA-N
XLogP2.54
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-2-[methyl-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]amino]acetamide
CID 55472471
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(methylamino)acetamide;dihydrochloride
CID 119850298
3-(dimethylamino)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 9431379
N-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenoxy)ethylcarbamoyl-methylamino]acetamide
CID 27535607
3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]butanamide
CID 119850313
5-[[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81096531
N-(2,6-dimethylphenyl)-2-[(2-iodophenyl)carbamoyl-methylamino]acetamide
CID 55697019
methyl 5-[[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 55629632
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-thiophen-2-ylacetamide
CID 47026748
4-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 119267877
6-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 133334436
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylphenoxy)propanamide
CID 9437503

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide (CID 55629349) is 2-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)NCc1ccc(N(C)C)nc1.
What is the InChIKey of 2-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is GRTLETKORRARAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14-7-6-8-15(2)19(14)23-18(26)13-25(5)20(27)22-12-16-9-10-17(21-11-16)24(3)4/h6-11H,12-13H2,1-5H3,(H,22,27)(H,23,26).
What are the key properties of 2-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide?
2-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 369.47 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 55629349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).