(2S)-2-methyl-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide

C23H24N4O3 — CID 135963535

IUPAC(2S)-2-methyl-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1ccc2c(c1)C[C@H](C)O2)c1cc(=O)[nH]c(-c2ccccn2)n1
InChIInChI=1S/C23H24N4O3/c1-13(2)21(18-12-20(28)26-22(25-18)17-6-4-5-9-24-17)27-23(29)15-7-8-19-16(11-15)10-14(3)30-19/h4-9,11-14,21H,10H2,1-3H3,(H,27,29)(H,25,26,28)/t14-,21+/m0/s1
InChIKeyALZIUNJOOPXMOE-LHSJRXKWSA-N
MW404.47 g/mol
LogP3.28
Rot. Bonds5

About (2S)-2-methyl-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide

(2S)-2-methyl-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 135963535) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is (2S)-2-methyl-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID135963535
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name(2S)-2-methyl-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1ccc2c(c1)C[C@H](C)O2)c1cc(=O)[nH]c(-c2ccccn2)n1
InChIInChI=1S/C23H24N4O3/c1-13(2)21(18-12-20(28)26-22(25-18)17-6-4-5-9-24-17)27-23(29)15-7-8-19-16(11-15)10-14(3)30-19/h4-9,11-14,21H,10H2,1-3H3,(H,27,29)(H,25,26,28)/t14-,21+/m0/s1
InChIKeyALZIUNJOOPXMOE-LHSJRXKWSA-N
XLogP3.28
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-methyl-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide with MolForge

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Related Compounds

4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 2352168
1-(3,5-Dimethyl-4-methoxybenzoyl)-4-[3-[(1-methylethyl)amino]-2-pyridinyl]piperazine
CID 455376
N-ethyl-3-(1-methyl-1H-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide
CID 155818570
Pyridine-2-carboxylic acid [3-(4-isopropoxy-benzoylamino)-propyl]-amide
CID 2985370
2-[[Acetyl[3-(1,1-dimethylethyl)-4-(tetradecyloxy)-benzoyl]amino]methyl]-1-methylpyridinium iodide
CID 9939585
N-(2-(1-methoxybutan-2-ylamino)pyrimidin-4-yl)-N-(piperidin-4-ylmethyl)-2,3-dihydrobenzofuran-5-carboxamide
CID 11293575
2-amino-4-(2,3-dihydrobenzofuran-5-yl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one
CID 11668120
(S)-N-(2-(1-phenylethylamino)pyrimidin-4-yl)-N-(piperidin-4-ylmethyl)-2,3-dihydrobenzofuran-5-carboxamide
CID 46866401
(S)-N-(4-aminobutyl)-N-(2-(1-phenylethylamino)pyrimidin-4-yl)-2,3-dihydrobenzofuran-5-carboxamide
CID 46866402
(S)-N-isobutyl-N-(2-(1-phenylethylamino)pyrimidin-4-yl)-2,3-dihydrobenzofuran-5-carboxamide
CID 46886114
(S)-N-(cyclopropylmethyl)-N-(2-(1-phenylethylamino)pyrimidin-4-yl)-2,3-dihydrobenzofuran-5-carboxamide
CID 46886115
(S)-N-(2-methoxyethyl)-N-(2-(1-phenylethylamino)pyrimidin-4-yl)-2,3-dihydrobenzofuran-5-carboxamide
CID 46886116

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of (2S)-2-methyl-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 135963535) is (2S)-2-methyl-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for (2S)-2-methyl-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for (2S)-2-methyl-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide is CC(C)[C@@H](NC(=O)c1ccc2c(c1)C[C@H](C)O2)c1cc(=O)[nH]c(-c2ccccn2)n1.
What is the InChIKey of (2S)-2-methyl-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is ALZIUNJOOPXMOE-LHSJRXKWSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-13(2)21(18-12-20(28)26-22(25-18)17-6-4-5-9-24-17)27-23(29)15-7-8-19-16(11-15)10-14(3)30-19/h4-9,11-14,21H,10H2,1-3H3,(H,27,29)(H,25,26,28)/t14-,21+/m0/s1.
What are the key properties of (2S)-2-methyl-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
(2S)-2-methyl-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 135963535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).