N-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-2-[[2-(1H-indol-3-yl)acetyl]amino]propanamide

C20H23N5O4 — CID 171139133

IUPACN-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-2-[[2-(1H-indol-3-yl)acetyl]amino]propanamide
SMILESCC(NC(=O)Cc1c[nH]c2ccccc12)C(=O)NCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C20H23N5O4/c1-12(19(28)22-11-14-9-18(27)25(3)20(29)24(14)2)23-17(26)8-13-10-21-16-7-5-4-6-15(13)16/h4-7,9-10,12,21H,8,11H2,1-3H3,(H,22,28)(H,23,26)
InChIKeyMEFHDPYWRKMWHY-UHFFFAOYSA-N
MW397.44 g/mol
LogP-0.07
Rot. Bonds6

About N-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-2-[[2-(1H-indol-3-yl)acetyl]amino]propanamide

N-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-2-[[2-(1H-indol-3-yl)acetyl]amino]propanamide (PubChem CID 171139133) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-2-[[2-(1H-indol-3-yl)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-2-[[2-(1H-indol-3-yl)acetyl]amino]propanamide
PubChem CID171139133
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC NameN-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-2-[[2-(1H-indol-3-yl)acetyl]amino]propanamide
SMILESCC(NC(=O)Cc1c[nH]c2ccccc12)C(=O)NCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C20H23N5O4/c1-12(19(28)22-11-14-9-18(27)25(3)20(29)24(14)2)23-17(26)8-13-10-21-16-7-5-4-6-15(13)16/h4-7,9-10,12,21H,8,11H2,1-3H3,(H,22,28)(H,23,26)
InChIKeyMEFHDPYWRKMWHY-UHFFFAOYSA-N
XLogP-0.07
TPSA117.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-2-[[2-(1H-indol-3-yl)acetyl]amino]propanamide with MolForge

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Related Compounds

(2S)-N-(6-acetamidohexyl)-2-[[2-(1H-indol-3-yl)acetyl]amino]propanamide
CID 10091557
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CID 47315730
(2S)-2-[3-(1H-indol-3-yl)propanoylamino]-N-propylpropanamide
CID 27860985
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
N-but-3-yn-2-yl-2-(1H-indol-3-yl)acetamide
CID 114389821
2-(1H-indol-3-yl)-N-(4-methylsulfinylbutan-2-yl)acetamide
CID 115667804
(2R)-N-[(2R)-butan-2-yl]-2-[3-(1H-indol-3-yl)propanoylamino]propanamide
CID 52781483
4-(1H-indol-3-ylmethylamino)-3-methyl-4-oxobutanoic acid
CID 115164587
2-(1H-indol-3-yl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 40810685
N-[1-(2,4-difluorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 51150393
2-(1H-indol-3-ylmethylamino)-N-methylpropanamide
CID 61057745
2-[[2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetyl]amino]-N-(naphthalen-1-ylmethyl)propanamide
CID 144886365

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-2-[[2-(1H-indol-3-yl)acetyl]amino]propanamide?
The IUPAC name of N-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-2-[[2-(1H-indol-3-yl)acetyl]amino]propanamide (CID 171139133) is N-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-2-[[2-(1H-indol-3-yl)acetyl]amino]propanamide.
What is the SMILES notation for N-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-2-[[2-(1H-indol-3-yl)acetyl]amino]propanamide?
The canonical SMILES for N-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-2-[[2-(1H-indol-3-yl)acetyl]amino]propanamide is CC(NC(=O)Cc1c[nH]c2ccccc12)C(=O)NCc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of N-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-2-[[2-(1H-indol-3-yl)acetyl]amino]propanamide?
The InChIKey is MEFHDPYWRKMWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-12(19(28)22-11-14-9-18(27)25(3)20(29)24(14)2)23-17(26)8-13-10-21-16-7-5-4-6-15(13)16/h4-7,9-10,12,21H,8,11H2,1-3H3,(H,22,28)(H,23,26).
What are the key properties of N-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-2-[[2-(1H-indol-3-yl)acetyl]amino]propanamide?
N-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-2-[[2-(1H-indol-3-yl)acetyl]amino]propanamide has a molecular weight of 397.44 g/mol, XLogP of -0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-2-[[2-(1H-indol-3-yl)acetyl]amino]propanamide is sourced from PubChem (CID 171139133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).