N-[(1S)-1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-ethylbutanamide

C23H31N5O — CID 92585990

IUPACN-[(1S)-1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1cc(N(C)C)nc(C)n1
InChIInChI=1S/C23H31N5O/c1-6-16(7-2)23(29)27-20(21-13-22(28(4)5)26-15(3)25-21)12-17-14-24-19-11-9-8-10-18(17)19/h8-11,13-14,16,20,24H,6-7,12H2,1-5H3,(H,27,29)/t20-/m0/s1
InChIKeyMQDVCIUQHQRMDQ-FQEVSTJZSA-N
MW393.54 g/mol
LogP4.17
Rot. Bonds8

About N-[(1S)-1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-ethylbutanamide

N-[(1S)-1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-ethylbutanamide (PubChem CID 92585990) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is N-[(1S)-1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[(1S)-1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-ethylbutanamide
PubChem CID92585990
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC NameN-[(1S)-1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1cc(N(C)C)nc(C)n1
InChIInChI=1S/C23H31N5O/c1-6-16(7-2)23(29)27-20(21-13-22(28(4)5)26-15(3)25-21)12-17-14-24-19-11-9-8-10-18(17)19/h8-11,13-14,16,20,24H,6-7,12H2,1-5H3,(H,27,29)/t20-/m0/s1
InChIKeyMQDVCIUQHQRMDQ-FQEVSTJZSA-N
XLogP4.17
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-3,3-dimethylbutanamide
CID 110218737
N-[(1R)-1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-phenoxyacetamide
CID 92564350
N-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 110218715
N-[(1R)-1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-methoxy-3-methylbenzamide
CID 92561350
N-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
CID 110218716
N-[(1S)-2-(1H-indol-3-yl)-1-(4-methylquinolin-2-yl)ethyl]acetamide
CID 154715387
N-[(1S)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 136763352
N-[(1S)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 92553189
(2S)-2-(1H-indol-3-ylmethyl)butanamide
CID 155450153
[2-(1H-indol-3-yl)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid
CID 68787766
2-fluoro-N-[(1S)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]benzamide
CID 136763646
N-[(1R)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 136735516

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-ethylbutanamide?
The IUPAC name of N-[(1S)-1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-ethylbutanamide (CID 92585990) is N-[(1S)-1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[(1S)-1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-ethylbutanamide?
The canonical SMILES for N-[(1S)-1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-ethylbutanamide is CCC(CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1cc(N(C)C)nc(C)n1.
What is the InChIKey of N-[(1S)-1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-ethylbutanamide?
The InChIKey is MQDVCIUQHQRMDQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H31N5O/c1-6-16(7-2)23(29)27-20(21-13-22(28(4)5)26-15(3)25-21)12-17-14-24-19-11-9-8-10-18(17)19/h8-11,13-14,16,20,24H,6-7,12H2,1-5H3,(H,27,29)/t20-/m0/s1.
What are the key properties of N-[(1S)-1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-ethylbutanamide?
N-[(1S)-1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-ethylbutanamide has a molecular weight of 393.54 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-ethylbutanamide is sourced from PubChem (CID 92585990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).