tert-butyl N-[(2R)-1-[4-(2-amino-4-pyridinyl)-3-methylanilino]-4,4-dimethyl-1-oxopentan-2-yl]carbamate

C24H34N4O3 — CID 178001640

IUPACtert-butyl N-[(2R)-1-[4-(2-amino-4-pyridinyl)-3-methylanilino]-4,4-dimethyl-1-oxopentan-2-yl]carbamate
SMILESCc1cc(NC(=O)[C@@H](CC(C)(C)C)NC(=O)OC(C)(C)C)ccc1-c1ccnc(N)c1
InChIInChI=1S/C24H34N4O3/c1-15-12-17(8-9-18(15)16-10-11-26-20(25)13-16)27-21(29)19(14-23(2,3)4)28-22(30)31-24(5,6)7/h8-13,19H,14H2,1-7H3,(H2,25,26)(H,27,29)(H,28,30)/t19-/m1/s1
InChIKeyJCWVJDLBLBBNGM-LJQANCHMSA-N
MW426.56 g/mol
LogP4.91
Rot. Bonds5

About tert-butyl N-[(2R)-1-[4-(2-amino-4-pyridinyl)-3-methylanilino]-4,4-dimethyl-1-oxopentan-2-yl]carbamate

tert-butyl N-[(2R)-1-[4-(2-amino-4-pyridinyl)-3-methylanilino]-4,4-dimethyl-1-oxopentan-2-yl]carbamate (PubChem CID 178001640) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[4-(2-amino-4-pyridinyl)-3-methylanilino]-4,4-dimethyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[4-(2-amino-4-pyridinyl)-3-methylanilino]-4,4-dimethyl-1-oxopentan-2-yl]carbamate
PubChem CID178001640
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Nametert-butyl N-[(2R)-1-[4-(2-amino-4-pyridinyl)-3-methylanilino]-4,4-dimethyl-1-oxopentan-2-yl]carbamate
SMILESCc1cc(NC(=O)[C@@H](CC(C)(C)C)NC(=O)OC(C)(C)C)ccc1-c1ccnc(N)c1
InChIInChI=1S/C24H34N4O3/c1-15-12-17(8-9-18(15)16-10-11-26-20(25)13-16)27-21(29)19(14-23(2,3)4)28-22(30)31-24(5,6)7/h8-13,19H,14H2,1-7H3,(H2,25,26)(H,27,29)(H,28,30)/t19-/m1/s1
InChIKeyJCWVJDLBLBBNGM-LJQANCHMSA-N
XLogP4.91
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(2R)-1-[4-(2-amino-4-pyridinyl)-3-methylanilino]-4,4-dimethyl-1-oxopentan-2-yl]carbamate with MolForge

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Related Compounds

benzyl 4-[5-[[4-[4-[[(2R)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-2-methylphenyl]-2-pyridinyl]amino]-2-pyridinyl]piperazine-1-carboxylate
CID 178001576
tert-butyl N-[(2R)-4,4-dimethyl-1-oxo-1-[4-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]anilino]pentan-2-yl]carbamate
CID 165404870
tert-butyl N-[4-(2-amino-4-pyridinyl)phenyl]carbamate
CID 140874182
tert-butyl N-[(2R)-1-(4-bromo-3-methylanilino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 165404735
tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
CID 132820274
tert-butyl N-[(1R)-1-(3-methyl-4-pyridin-4-ylphenyl)ethyl]carbamate
CID 143478940
tert-butyl N-[3-(3,5-difluorophenyl)-1-oxo-1-(quinoxalin-6-ylamino)propan-2-yl]carbamate
CID 134344870
tert-butyl N-[(2S)-3-(3,5-difluorophenyl)-1-oxo-1-(quinoxalin-6-ylamino)propan-2-yl]carbamate
CID 122647430
tert-butyl N-(2,2,6,6-tetramethyl-3-oxoheptan-4-yl)carbamate
CID 90394148
tert-butyl N-[(1S)-1-[4-[2-amino-4-(methoxycarbonylamino)phenyl]-2-pyridinyl]-2-methylbut-3-enyl]carbamate
CID 140649396
tert-butyl N-[1-(5-bromo-2-methoxyphenyl)-2-[4-(4-bromophenyl)-3-methylanilino]-2-oxoethyl]carbamate
CID 166345662
tert-butyl N-[(2S)-4-methyl-1-oxo-1-[(2-oxo-3-phenylchromen-7-yl)amino]pentan-2-yl]carbamate
CID 22823403

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[4-(2-amino-4-pyridinyl)-3-methylanilino]-4,4-dimethyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[4-(2-amino-4-pyridinyl)-3-methylanilino]-4,4-dimethyl-1-oxopentan-2-yl]carbamate (CID 178001640) is tert-butyl N-[(2R)-1-[4-(2-amino-4-pyridinyl)-3-methylanilino]-4,4-dimethyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[4-(2-amino-4-pyridinyl)-3-methylanilino]-4,4-dimethyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[4-(2-amino-4-pyridinyl)-3-methylanilino]-4,4-dimethyl-1-oxopentan-2-yl]carbamate is Cc1cc(NC(=O)[C@@H](CC(C)(C)C)NC(=O)OC(C)(C)C)ccc1-c1ccnc(N)c1.
What is the InChIKey of tert-butyl N-[(2R)-1-[4-(2-amino-4-pyridinyl)-3-methylanilino]-4,4-dimethyl-1-oxopentan-2-yl]carbamate?
The InChIKey is JCWVJDLBLBBNGM-LJQANCHMSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-15-12-17(8-9-18(15)16-10-11-26-20(25)13-16)27-21(29)19(14-23(2,3)4)28-22(30)31-24(5,6)7/h8-13,19H,14H2,1-7H3,(H2,25,26)(H,27,29)(H,28,30)/t19-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-[4-(2-amino-4-pyridinyl)-3-methylanilino]-4,4-dimethyl-1-oxopentan-2-yl]carbamate?
tert-butyl N-[(2R)-1-[4-(2-amino-4-pyridinyl)-3-methylanilino]-4,4-dimethyl-1-oxopentan-2-yl]carbamate has a molecular weight of 426.56 g/mol, XLogP of 4.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-[4-(2-amino-4-pyridinyl)-3-methylanilino]-4,4-dimethyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 178001640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).