tert-butyl N-[(1S)-1-(4-methylcyclohexyl)-2-[[5-(5-methylpyrimidin-4-yl)-2-pyridinyl]amino]-2-oxoethyl]carbamate

C24H33N5O3 — CID 175852919

IUPACtert-butyl N-[(1S)-1-(4-methylcyclohexyl)-2-[[5-(5-methylpyrimidin-4-yl)-2-pyridinyl]amino]-2-oxoethyl]carbamate
SMILESCc1cncnc1-c1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCC(C)CC2)nc1
InChIInChI=1S/C24H33N5O3/c1-15-6-8-17(9-7-15)21(29-23(31)32-24(3,4)5)22(30)28-19-11-10-18(13-26-19)20-16(2)12-25-14-27-20/h10-15,17,21H,6-9H2,1-5H3,(H,29,31)(H,26,28,30)/t15?,17?,21-/m0/s1
InChIKeyBYRUKCMUQYZPCI-GRXDXKALSA-N
MW439.56 g/mol
LogP4.51
Rot. Bonds5

About tert-butyl N-[(1S)-1-(4-methylcyclohexyl)-2-[[5-(5-methylpyrimidin-4-yl)-2-pyridinyl]amino]-2-oxoethyl]carbamate

tert-butyl N-[(1S)-1-(4-methylcyclohexyl)-2-[[5-(5-methylpyrimidin-4-yl)-2-pyridinyl]amino]-2-oxoethyl]carbamate (PubChem CID 175852919) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-(4-methylcyclohexyl)-2-[[5-(5-methylpyrimidin-4-yl)-2-pyridinyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-(4-methylcyclohexyl)-2-[[5-(5-methylpyrimidin-4-yl)-2-pyridinyl]amino]-2-oxoethyl]carbamate
PubChem CID175852919
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC Nametert-butyl N-[(1S)-1-(4-methylcyclohexyl)-2-[[5-(5-methylpyrimidin-4-yl)-2-pyridinyl]amino]-2-oxoethyl]carbamate
SMILESCc1cncnc1-c1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCC(C)CC2)nc1
InChIInChI=1S/C24H33N5O3/c1-15-6-8-17(9-7-15)21(29-23(31)32-24(3,4)5)22(30)28-19-11-10-18(13-26-19)20-16(2)12-25-14-27-20/h10-15,17,21H,6-9H2,1-5H3,(H,29,31)(H,26,28,30)/t15?,17?,21-/m0/s1
InChIKeyBYRUKCMUQYZPCI-GRXDXKALSA-N
XLogP4.51
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(1S)-1-(4-methylcyclohexyl)-2-[[5-(5-methylpyrimidin-4-yl)-2-pyridinyl]amino]-2-oxoethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1S)-2-[(5-bromo-2-pyridinyl)amino]-1-(4-methylcyclohexyl)-2-oxoethyl]carbamate
CID 166889051
tert-butyl N-[(1S)-2-[[5-(3,5-dimethyl-1,2-thiazol-4-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]carbamate
CID 175865863
tert-butyl N-[(1S)-1-cycloheptyl-2-oxo-2-[[5-(2,4,5-trimethylpyrazol-3-yl)-2-pyridinyl]amino]ethyl]carbamate
CID 167525659
tert-butyl N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]carbamate
CID 175852947
tert-butyl N-[(1S)-2-[4-(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]carbamate
CID 170425348
tert-butyl N-[(1S)-2-[[2-(1,4-dimethylpyrazol-5-yl)pyrimidin-5-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]carbamate
CID 175853056
tert-butyl N-[2-[[4-[[[(2S)-2-amino-3,3,3-trifluoropropyl]amino]methyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]carbamate
CID 177307222
N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 162362278
2-amino-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide
CID 168846568
tert-butyl N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamate
CID 130156540
N-[2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-methyltriazole-4-carboxamide
CID 162362423
tert-butyl N-[(1S)-1-cyclopentyl-2-[4-[2-methyl-4-(trifluoromethyl)-3-pyridinyl]anilino]-2-oxoethyl]carbamate
CID 175462719

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-(4-methylcyclohexyl)-2-[[5-(5-methylpyrimidin-4-yl)-2-pyridinyl]amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-(4-methylcyclohexyl)-2-[[5-(5-methylpyrimidin-4-yl)-2-pyridinyl]amino]-2-oxoethyl]carbamate (CID 175852919) is tert-butyl N-[(1S)-1-(4-methylcyclohexyl)-2-[[5-(5-methylpyrimidin-4-yl)-2-pyridinyl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-(4-methylcyclohexyl)-2-[[5-(5-methylpyrimidin-4-yl)-2-pyridinyl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-(4-methylcyclohexyl)-2-[[5-(5-methylpyrimidin-4-yl)-2-pyridinyl]amino]-2-oxoethyl]carbamate is Cc1cncnc1-c1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCC(C)CC2)nc1.
What is the InChIKey of tert-butyl N-[(1S)-1-(4-methylcyclohexyl)-2-[[5-(5-methylpyrimidin-4-yl)-2-pyridinyl]amino]-2-oxoethyl]carbamate?
The InChIKey is BYRUKCMUQYZPCI-GRXDXKALSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-15-6-8-17(9-7-15)21(29-23(31)32-24(3,4)5)22(30)28-19-11-10-18(13-26-19)20-16(2)12-25-14-27-20/h10-15,17,21H,6-9H2,1-5H3,(H,29,31)(H,26,28,30)/t15?,17?,21-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-(4-methylcyclohexyl)-2-[[5-(5-methylpyrimidin-4-yl)-2-pyridinyl]amino]-2-oxoethyl]carbamate?
tert-butyl N-[(1S)-1-(4-methylcyclohexyl)-2-[[5-(5-methylpyrimidin-4-yl)-2-pyridinyl]amino]-2-oxoethyl]carbamate has a molecular weight of 439.56 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-(4-methylcyclohexyl)-2-[[5-(5-methylpyrimidin-4-yl)-2-pyridinyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 175852919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).