N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide

C24H20N4O3 — CID 29304267

IUPACN-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C24H20N4O3/c1-14-20(21-23(30)27-13-28-24(21)31-14)22(29)26-11-17(15-7-3-2-4-8-15)18-12-25-19-10-6-5-9-16(18)19/h2-10,12-13,17,25H,11H2,1H3,(H,26,29)(H,27,28,30)/t17-/m0/s1
InChIKeyLLYJNMROGFCGBA-KRWDZBQOSA-N
MW412.45 g/mol
LogP3.87
Rot. Bonds5

About N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide

N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 29304267) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID29304267
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC NameN-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C24H20N4O3/c1-14-20(21-23(30)27-13-28-24(21)31-14)22(29)26-11-17(15-7-3-2-4-8-15)18-12-25-19-10-6-5-9-16(18)19/h2-10,12-13,17,25H,11H2,1H3,(H,26,29)(H,27,28,30)/t17-/m0/s1
InChIKeyLLYJNMROGFCGBA-KRWDZBQOSA-N
XLogP3.87
TPSA103.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 34665634
N-(3-amino-2-hydroxy-3-oxopropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 107261163
N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51154964
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylpyrimidine-4-carboxamide
CID 52536064
2,6-difluoro-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 46553423
N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylbenzamide
CID 35180736
N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-methylfuran-2-carboxamide
CID 17449245
2-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 35130080
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 9464980
2-bromo-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 17014637
2-bromo-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 26243574
4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 8019643

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide (CID 29304267) is N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide is Cc1oc2nc[nH]c(=O)c2c1C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is LLYJNMROGFCGBA-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-14-20(21-23(30)27-13-28-24(21)31-14)22(29)26-11-17(15-7-3-2-4-8-15)18-12-25-19-10-6-5-9-16(18)19/h2-10,12-13,17,25H,11H2,1H3,(H,26,29)(H,27,28,30)/t17-/m0/s1.
What are the key properties of N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 3.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 29304267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).