N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2-ethylpyrimidine-5-carboxamide

C20H25N3O — CID 72873687

IUPACN-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2-ethylpyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)NC(C)(C)CC2Cc3ccccc3C2)cn1
InChIInChI=1S/C20H25N3O/c1-4-18-21-12-17(13-22-18)19(24)23-20(2,3)11-14-9-15-7-5-6-8-16(15)10-14/h5-8,12-14H,4,9-11H2,1-3H3,(H,23,24)
InChIKeyGWPFMUKYCCFCBL-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.35
Rot. Bonds5

About N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2-ethylpyrimidine-5-carboxamide

N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2-ethylpyrimidine-5-carboxamide (PubChem CID 72873687) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2-ethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2-ethylpyrimidine-5-carboxamide
PubChem CID72873687
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2-ethylpyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)NC(C)(C)CC2Cc3ccccc3C2)cn1
InChIInChI=1S/C20H25N3O/c1-4-18-21-12-17(13-22-18)19(24)23-20(2,3)11-14-9-15-7-5-6-8-16(15)10-14/h5-8,12-14H,4,9-11H2,1-3H3,(H,23,24)
InChIKeyGWPFMUKYCCFCBL-UHFFFAOYSA-N
XLogP3.35
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-3-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]urea
CID 135214409
(3S)-1-cyclopropyl-N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 97140593
N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 97135656
N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 97135654
4-(1,3-dihydroisoindol-2-yl)-N-(2-methylbutan-2-yl)benzamide
CID 141336878
3-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 64670517
6-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide
CID 22336258
2-ethyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]pyrimidine-5-carboxamide
CID 50959450
N-tert-butyl-2-[(2-oxocyclobutyl)methyl]pyrimidine-5-carboxamide
CID 161446717
1-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-3-(dimethylamino)propan-2-ol
CID 143905658
8-fluoro-N-(2-methylheptan-2-yl)quinoline-3-carboxamide
CID 155104955
N-[1-[(5-fluoro-2-pyridinyl)oxy]-2-methylpropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 168938163

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2-ethylpyrimidine-5-carboxamide?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2-ethylpyrimidine-5-carboxamide (CID 72873687) is N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2-ethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2-ethylpyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2-ethylpyrimidine-5-carboxamide is CCc1ncc(C(=O)NC(C)(C)CC2Cc3ccccc3C2)cn1.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2-ethylpyrimidine-5-carboxamide?
The InChIKey is GWPFMUKYCCFCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-4-18-21-12-17(13-22-18)19(24)23-20(2,3)11-14-9-15-7-5-6-8-16(15)10-14/h5-8,12-14H,4,9-11H2,1-3H3,(H,23,24).
What are the key properties of N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2-ethylpyrimidine-5-carboxamide?
N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2-ethylpyrimidine-5-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2-ethylpyrimidine-5-carboxamide is sourced from PubChem (CID 72873687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).