tert-butyl N-[(1R)-1-[3-[(2S)-2-[[4-methyl-6-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)pyrimidin-2-yl]amino]propyl]phenyl]ethyl]carbamate

C35H42N6O2 — CID 11664239

IUPACtert-butyl N-[(1R)-1-[3-[(2S)-2-[[4-methyl-6-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)pyrimidin-2-yl]amino]propyl]phenyl]ethyl]carbamate
SMILESCc1cc(N2CCCc3ccc(-c4ccccc4)nc32)nc(N[C@@H](C)Cc2cccc([C@@H](C)NC(=O)OC(C)(C)C)c2)n1
InChIInChI=1S/C35H42N6O2/c1-23(20-26-12-10-15-29(22-26)25(3)38-34(42)43-35(4,5)6)36-33-37-24(2)21-31(40-33)41-19-11-16-28-17-18-30(39-32(28)41)27-13-8-7-9-14-27/h7-10,12-15,17-18,21-23,25H,11,16,19-20H2,1-6H3,(H,38,42)(H,36,37,40)/t23-,25+/m0/s1
InChIKeyDWIRBKWYFKVBHP-UKILVPOCSA-N
MW578.76 g/mol
LogP7.56
Rot. Bonds8

About tert-butyl N-[(1R)-1-[3-[(2S)-2-[[4-methyl-6-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)pyrimidin-2-yl]amino]propyl]phenyl]ethyl]carbamate

tert-butyl N-[(1R)-1-[3-[(2S)-2-[[4-methyl-6-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)pyrimidin-2-yl]amino]propyl]phenyl]ethyl]carbamate (PubChem CID 11664239) has the molecular formula C35H42N6O2 and a molecular weight of 578.76 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[3-[(2S)-2-[[4-methyl-6-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)pyrimidin-2-yl]amino]propyl]phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[3-[(2S)-2-[[4-methyl-6-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)pyrimidin-2-yl]amino]propyl]phenyl]ethyl]carbamate
PubChem CID11664239
Molecular FormulaC35H42N6O2
Molecular Weight578.76 g/mol
Exact Mass578.34
IUPAC Nametert-butyl N-[(1R)-1-[3-[(2S)-2-[[4-methyl-6-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)pyrimidin-2-yl]amino]propyl]phenyl]ethyl]carbamate
SMILESCc1cc(N2CCCc3ccc(-c4ccccc4)nc32)nc(N[C@@H](C)Cc2cccc([C@@H](C)NC(=O)OC(C)(C)C)c2)n1
InChIInChI=1S/C35H42N6O2/c1-23(20-26-12-10-15-29(22-26)25(3)38-34(42)43-35(4,5)6)36-33-37-24(2)21-31(40-33)41-19-11-16-28-17-18-30(39-32(28)41)27-13-8-7-9-14-27/h7-10,12-15,17-18,21-23,25H,11,16,19-20H2,1-6H3,(H,38,42)(H,36,37,40)/t23-,25+/m0/s1
InChIKeyDWIRBKWYFKVBHP-UKILVPOCSA-N
XLogP7.56
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.76
LogP ≤ 57.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[(1R)-1-[3-[(2S)-2-[[4-methyl-6-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)pyrimidin-2-yl]amino]propyl]phenyl]ethyl]carbamate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[3-[(2S)-2-[[4-methyl-6-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)pyrimidin-2-yl]amino]propyl]phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[3-[(2S)-2-[[4-methyl-6-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)pyrimidin-2-yl]amino]propyl]phenyl]ethyl]carbamate (CID 11664239) is tert-butyl N-[(1R)-1-[3-[(2S)-2-[[4-methyl-6-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)pyrimidin-2-yl]amino]propyl]phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[3-[(2S)-2-[[4-methyl-6-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)pyrimidin-2-yl]amino]propyl]phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[3-[(2S)-2-[[4-methyl-6-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)pyrimidin-2-yl]amino]propyl]phenyl]ethyl]carbamate is Cc1cc(N2CCCc3ccc(-c4ccccc4)nc32)nc(N[C@@H](C)Cc2cccc([C@@H](C)NC(=O)OC(C)(C)C)c2)n1.
What is the InChIKey of tert-butyl N-[(1R)-1-[3-[(2S)-2-[[4-methyl-6-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)pyrimidin-2-yl]amino]propyl]phenyl]ethyl]carbamate?
The InChIKey is DWIRBKWYFKVBHP-UKILVPOCSA-N. The full InChI is InChI=1S/C35H42N6O2/c1-23(20-26-12-10-15-29(22-26)25(3)38-34(42)43-35(4,5)6)36-33-37-24(2)21-31(40-33)41-19-11-16-28-17-18-30(39-32(28)41)27-13-8-7-9-14-27/h7-10,12-15,17-18,21-23,25H,11,16,19-20H2,1-6H3,(H,38,42)(H,36,37,40)/t23-,25+/m0/s1.
What are the key properties of tert-butyl N-[(1R)-1-[3-[(2S)-2-[[4-methyl-6-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)pyrimidin-2-yl]amino]propyl]phenyl]ethyl]carbamate?
tert-butyl N-[(1R)-1-[3-[(2S)-2-[[4-methyl-6-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)pyrimidin-2-yl]amino]propyl]phenyl]ethyl]carbamate has a molecular weight of 578.76 g/mol, XLogP of 7.56, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-[3-[(2S)-2-[[4-methyl-6-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)pyrimidin-2-yl]amino]propyl]phenyl]ethyl]carbamate is sourced from PubChem (CID 11664239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).