N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide

C20H23N5O3 — CID 51498965

IUPACN-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCC(=O)N1c2ccc(NC(=O)c3cnc(N4CCOCC4)nc3)cc2C[C@H]1C
InChIInChI=1S/C20H23N5O3/c1-13-9-15-10-17(3-4-18(15)25(13)14(2)26)23-19(27)16-11-21-20(22-12-16)24-5-7-28-8-6-24/h3-4,10-13H,5-9H2,1-2H3,(H,23,27)/t13-/m1/s1
InChIKeyFQLAUTXTQLDSAM-CYBMUJFWSA-N
MW381.44 g/mol
LogP1.86
Rot. Bonds3

About N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide

N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 51498965) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID51498965
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCC(=O)N1c2ccc(NC(=O)c3cnc(N4CCOCC4)nc3)cc2C[C@H]1C
InChIInChI=1S/C20H23N5O3/c1-13-9-15-10-17(3-4-18(15)25(13)14(2)26)23-19(27)16-11-21-20(22-12-16)24-5-7-28-8-6-24/h3-4,10-13H,5-9H2,1-2H3,(H,23,27)/t13-/m1/s1
InChIKeyFQLAUTXTQLDSAM-CYBMUJFWSA-N
XLogP1.86
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide with MolForge

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Related Compounds

N-(3-methylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959447
N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 51498960
N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2,3-dimethyl-1H-indole-6-carboxamide
CID 51498992
2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide
CID 109253956
(2S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-methyloxolane-2-carboxamide
CID 51498983
N-(4-acetamidophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253945
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide
CID 109254821
N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-chloro-4-(1,2,4-triazol-4-yl)benzamide
CID 51496042
N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1-phenyltriazole-4-carboxamide
CID 51499002
4-iodo-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 122299046
N-(3,4-dichlorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250257
N-(3,4-dimethylphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959344

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 51498965) is N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide is CC(=O)N1c2ccc(NC(=O)c3cnc(N4CCOCC4)nc3)cc2C[C@H]1C.
What is the InChIKey of N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is FQLAUTXTQLDSAM-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-13-9-15-10-17(3-4-18(15)25(13)14(2)26)23-19(27)16-11-21-20(22-12-16)24-5-7-28-8-6-24/h3-4,10-13H,5-9H2,1-2H3,(H,23,27)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 51498965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).