tert-butyl N-[(2R)-1-[4-(1-methyl-5-naphthalen-2-yl-6-oxo-4-pyridin-4-yl-2-pyridinyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamate

C40H44N4O3 — CID 10077715

IUPACtert-butyl N-[(2R)-1-[4-(1-methyl-5-naphthalen-2-yl-6-oxo-4-pyridin-4-yl-2-pyridinyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamate
SMILESCn1c(C2CCN(C[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)CC2)cc(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O
InChIInChI=1S/C40H44N4O3/c1-40(2,3)47-39(46)42-34(24-28-10-6-5-7-11-28)27-44-22-18-31(19-23-44)36-26-35(30-16-20-41-21-17-30)37(38(45)43(36)4)33-15-14-29-12-8-9-13-32(29)25-33/h5-17,20-21,25-26,31,34H,18-19,22-24,27H2,1-4H3,(H,42,46)/t34-/m1/s1
InChIKeyONWPFJQYITYTEF-UUWRZZSWSA-N
MW628.82 g/mol
LogP7.58
Rot. Bonds8

About tert-butyl N-[(2R)-1-[4-(1-methyl-5-naphthalen-2-yl-6-oxo-4-pyridin-4-yl-2-pyridinyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamate

tert-butyl N-[(2R)-1-[4-(1-methyl-5-naphthalen-2-yl-6-oxo-4-pyridin-4-yl-2-pyridinyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamate (PubChem CID 10077715) has the molecular formula C40H44N4O3 and a molecular weight of 628.82 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[4-(1-methyl-5-naphthalen-2-yl-6-oxo-4-pyridin-4-yl-2-pyridinyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[4-(1-methyl-5-naphthalen-2-yl-6-oxo-4-pyridin-4-yl-2-pyridinyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamate
PubChem CID10077715
Molecular FormulaC40H44N4O3
Molecular Weight628.82 g/mol
Exact Mass628.34
IUPAC Nametert-butyl N-[(2R)-1-[4-(1-methyl-5-naphthalen-2-yl-6-oxo-4-pyridin-4-yl-2-pyridinyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamate
SMILESCn1c(C2CCN(C[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)CC2)cc(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O
InChIInChI=1S/C40H44N4O3/c1-40(2,3)47-39(46)42-34(24-28-10-6-5-7-11-28)27-44-22-18-31(19-23-44)36-26-35(30-16-20-41-21-17-30)37(38(45)43(36)4)33-15-14-29-12-8-9-13-32(29)25-33/h5-17,20-21,25-26,31,34H,18-19,22-24,27H2,1-4H3,(H,42,46)/t34-/m1/s1
InChIKeyONWPFJQYITYTEF-UUWRZZSWSA-N
XLogP7.58
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.82
LogP ≤ 57.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(2R)-1-[4-(1-methyl-5-naphthalen-2-yl-6-oxo-4-pyridin-4-yl-2-pyridinyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

Amg-548
CID 11167112
(S)-N-(1-(Pyridin-2-YL)ethyl)-5-(4-(trifluoromethyl)phenyl)-2-naphthamide
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(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-N-[2-(4-pyridin-4-ylphenyl)ethyl]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
CID 44240971
Methyl ~{n}-[4-[2-[(1~{s})-1-[[4-(Aminomethyl)cyclohexyl]carbonylamino]-2-Phenyl-Ethyl]pyridin-4-Yl]phenyl]carbamate
CID 118987013
tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
CID 145865312
Cyp3A4-IN-3
CID 145865313
L-797,591
CID 9938757
methyl N-[3-[(R)-[4-(diethylcarbamoyl)phenyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenyl]carbamate
CID 57402465
2,6-dimethyl-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-pyridin-4-ylmethyl]benzamide
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Krh-1636
CID 465968
N-(6-Fluoro-1-pyridin-3-ylmethyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-2-(4-phenylacetylamino-piperidin-1-yl)-acetamide
CID 9806525
(S)-2-[(S)-3-Isobutyl-2,5-dioxo-4-((E)-3-pyridin-4-yl-allyl)-[1,4]diazepan-1-yl]-N-methyl-3-naphthalen-2-yl-propionamide
CID 11306830

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[4-(1-methyl-5-naphthalen-2-yl-6-oxo-4-pyridin-4-yl-2-pyridinyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[4-(1-methyl-5-naphthalen-2-yl-6-oxo-4-pyridin-4-yl-2-pyridinyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamate (CID 10077715) is tert-butyl N-[(2R)-1-[4-(1-methyl-5-naphthalen-2-yl-6-oxo-4-pyridin-4-yl-2-pyridinyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[4-(1-methyl-5-naphthalen-2-yl-6-oxo-4-pyridin-4-yl-2-pyridinyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[4-(1-methyl-5-naphthalen-2-yl-6-oxo-4-pyridin-4-yl-2-pyridinyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamate is Cn1c(C2CCN(C[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)CC2)cc(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O.
What is the InChIKey of tert-butyl N-[(2R)-1-[4-(1-methyl-5-naphthalen-2-yl-6-oxo-4-pyridin-4-yl-2-pyridinyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamate?
The InChIKey is ONWPFJQYITYTEF-UUWRZZSWSA-N. The full InChI is InChI=1S/C40H44N4O3/c1-40(2,3)47-39(46)42-34(24-28-10-6-5-7-11-28)27-44-22-18-31(19-23-44)36-26-35(30-16-20-41-21-17-30)37(38(45)43(36)4)33-15-14-29-12-8-9-13-32(29)25-33/h5-17,20-21,25-26,31,34H,18-19,22-24,27H2,1-4H3,(H,42,46)/t34-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-[4-(1-methyl-5-naphthalen-2-yl-6-oxo-4-pyridin-4-yl-2-pyridinyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-[4-(1-methyl-5-naphthalen-2-yl-6-oxo-4-pyridin-4-yl-2-pyridinyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamate has a molecular weight of 628.82 g/mol, XLogP of 7.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-[4-(1-methyl-5-naphthalen-2-yl-6-oxo-4-pyridin-4-yl-2-pyridinyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 10077715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).