tert-butyl N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-naphthalen-1-yl-1-oxopropan-2-yl]carbamate

C24H28N4O3 — CID 67030129

IUPACtert-butyl N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-naphthalen-1-yl-1-oxopropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NCc1ccc(N)nc1
InChIInChI=1S/C24H28N4O3/c1-24(2,3)31-23(30)28-20(22(29)27-15-16-11-12-21(25)26-14-16)13-18-9-6-8-17-7-4-5-10-19(17)18/h4-12,14,20H,13,15H2,1-3H3,(H2,25,26)(H,27,29)(H,28,30)/t20-/m0/s1
InChIKeyWQXNEGBUGVRPNU-FQEVSTJZSA-N
MW420.51 g/mol
LogP3.57
Rot. Bonds6

About tert-butyl N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-naphthalen-1-yl-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-naphthalen-1-yl-1-oxopropan-2-yl]carbamate (PubChem CID 67030129) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-naphthalen-1-yl-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-naphthalen-1-yl-1-oxopropan-2-yl]carbamate
PubChem CID67030129
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Nametert-butyl N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-naphthalen-1-yl-1-oxopropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NCc1ccc(N)nc1
InChIInChI=1S/C24H28N4O3/c1-24(2,3)31-23(30)28-20(22(29)27-15-16-11-12-21(25)26-14-16)13-18-9-6-8-17-7-4-5-10-19(17)18/h4-12,14,20H,13,15H2,1-3H3,(H2,25,26)(H,27,29)(H,28,30)/t20-/m0/s1
InChIKeyWQXNEGBUGVRPNU-FQEVSTJZSA-N
XLogP3.57
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-naphthalen-1-yl-1-oxopropan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[3-(4-fluorophenyl)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]carbamate
CID 123454328
tert-butyl N-[2-(6-amino-3-pyridinyl)ethyl]carbamate
CID 86238106
tert-butyl N-[(2S)-1-[[(2S)-3-methoxy-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-4-[(2-methylpropan-2-yl)oxyamino]-1,4-dioxobutan-2-yl]carbamate
CID 140782387
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-quinolin-8-ylpropanoic acid
CID 103666134
tert-butyl N-[(2S)-1-oxo-3-(4-phenylmethoxyphenyl)-1-(pyridin-4-ylmethylamino)propan-2-yl]carbamate
CID 70068071
tert-butyl N-[3-(1H-indol-3-yl)-1-(naphthalen-1-ylmethylamino)-1-sulfanylidenepropan-2-yl]carbamate
CID 76723092
benzyl 2-[benzyl-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-1-ylpropanoyl]amino]acetate
CID 54393598
tert-butyl N-[(2S)-1-[4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]butylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 10918947
tert-butyl N-[(2R)-1-(benzylamino)-3-[[(2R)-3-(benzylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]disulfanyl]-1-oxopropan-2-yl]carbamate
CID 100964004
tert-butyl N-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]carbamate
CID 146265928
tert-butyl N-[(3S)-1-[[(2R)-1-[(6-amino-3-pyridinyl)methylamino]-3,3-dicyclohexyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 68531297
tert-butyl N-[1-oxo-3-(1-propan-2-ylindol-3-yl)-1-(pyridin-2-ylmethylamino)propan-2-yl]carbamate
CID 121240350

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-naphthalen-1-yl-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-naphthalen-1-yl-1-oxopropan-2-yl]carbamate (CID 67030129) is tert-butyl N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-naphthalen-1-yl-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-naphthalen-1-yl-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-naphthalen-1-yl-1-oxopropan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NCc1ccc(N)nc1.
What is the InChIKey of tert-butyl N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-naphthalen-1-yl-1-oxopropan-2-yl]carbamate?
The InChIKey is WQXNEGBUGVRPNU-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-24(2,3)31-23(30)28-20(22(29)27-15-16-11-12-21(25)26-14-16)13-18-9-6-8-17-7-4-5-10-19(17)18/h4-12,14,20H,13,15H2,1-3H3,(H2,25,26)(H,27,29)(H,28,30)/t20-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-naphthalen-1-yl-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-naphthalen-1-yl-1-oxopropan-2-yl]carbamate has a molecular weight of 420.51 g/mol, XLogP of 3.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-naphthalen-1-yl-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 67030129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).