N-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide

C23H27N5O3 — CID 110223893

IUPACN-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide
SMILESCOc1ccc2c(c1)c(-c1nc(C)ncc1CNC(=O)C(C)N1CCCC1=O)cn2C
InChIInChI=1S/C23H27N5O3/c1-14(28-9-5-6-21(28)29)23(30)25-12-16-11-24-15(2)26-22(16)19-13-27(3)20-8-7-17(31-4)10-18(19)20/h7-8,10-11,13-14H,5-6,9,12H2,1-4H3,(H,25,30)
InChIKeyKIEBNRDVBCYOLL-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.58
Rot. Bonds6

About N-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide

N-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide (PubChem CID 110223893) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide
PubChem CID110223893
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide
SMILESCOc1ccc2c(c1)c(-c1nc(C)ncc1CNC(=O)C(C)N1CCCC1=O)cn2C
InChIInChI=1S/C23H27N5O3/c1-14(28-9-5-6-21(28)29)23(30)25-12-16-11-24-15(2)26-22(16)19-13-27(3)20-8-7-17(31-4)10-18(19)20/h7-8,10-11,13-14H,5-6,9,12H2,1-4H3,(H,25,30)
InChIKeyKIEBNRDVBCYOLL-UHFFFAOYSA-N
XLogP2.58
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 92565409
N-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 110223892
N-[[2-(dimethylamino)-4-(5-methoxy-1-methylindol-3-yl)pyrimidin-5-yl]methyl]-2-methoxyacetamide
CID 92566823
2-methoxy-N-[[2-methyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]methyl]acetamide
CID 92565431
(2R)-2-(2-oxopyrrolidin-1-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide
CID 95717558
(2S)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 52515379
2-(4-ethoxyphenyl)-N-[(5-methoxy-1-methylindol-3-yl)methyl]acetamide
CID 110371484
(2R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 95296556
6-methoxy-N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]pyridine-3-carboxamide
CID 92628434
(2R)-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide
CID 25311957
5-(5-methoxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid
CID 115108277
N-[(2,4-dimethoxyphenyl)methyl]-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915884

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide (CID 110223893) is N-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide is COc1ccc2c(c1)c(-c1nc(C)ncc1CNC(=O)C(C)N1CCCC1=O)cn2C.
What is the InChIKey of N-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide?
The InChIKey is KIEBNRDVBCYOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-14(28-9-5-6-21(28)29)23(30)25-12-16-11-24-15(2)26-22(16)19-13-27(3)20-8-7-17(31-4)10-18(19)20/h7-8,10-11,13-14H,5-6,9,12H2,1-4H3,(H,25,30).
What are the key properties of N-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide?
N-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide has a molecular weight of 421.50 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 110223893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).